N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide

C19H23N7O2 — CID 135724335

IUPACN-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2/C(=O)NN=C2c2cnccn2)c(C)c1C(=O)NCCN(C)C
InChIInChI=1S/C19H23N7O2/c1-11-14(23-12(2)16(11)19(28)22-7-8-26(3)4)9-13-17(24-25-18(13)27)15-10-20-5-6-21-15/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,28)(H,25,27)/b13-9+
InChIKeyJBOPJDKNLAGHHV-UKTHLTGXSA-N
MW381.44 g/mol
LogP0.63
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide

N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 135724335) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide
PubChem CID135724335
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2/C(=O)NN=C2c2cnccn2)c(C)c1C(=O)NCCN(C)C
InChIInChI=1S/C19H23N7O2/c1-11-14(23-12(2)16(11)19(28)22-7-8-26(3)4)9-13-17(24-25-18(13)27)15-10-20-5-6-21-15/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,28)(H,25,27)/b13-9+
InChIKeyJBOPJDKNLAGHHV-UKTHLTGXSA-N
XLogP0.63
TPSA115.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-[[3-[2-(4-hydroxyphenyl)ethyl]-5-oxo-1H-pyrazol-4-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 150481161
4-[[4-[4-(dimethylamino)butyl]-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152771043
N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 54380946
4-[[4-[2-(ethylamino)ethyl]-5-methyl-3-pyridin-2-yl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152770877
4-[[3-cyclohexyl-4-[2-(ethylamino)ethyl]-5-methyl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152770565
4-[[4-[2-(ethylamino)ethyl]-3-(furan-2-yl)-5-methyl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152770872
4-[[4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-3-pyrazin-2-yl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152770785
(4E)-4-[[4-[(dimethylamino)methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-pyridin-3-yl-1H-pyrazol-5-one
CID 135724107
4-[[4-[2-(cyclopropylamino)ethyl]-5-methyl-3-pyrimidin-2-yl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152770847
(4E)-4-[(5-chloro-1H-pyrrol-2-yl)methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 135724328
4-[[4-[(cyclopropylamino)methyl]-5-methyl-3-pyrimidin-2-yl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152770848
4-[[3-cyclopentyl-4-(3-imidazol-1-yl-3-oxopropyl)-5-methyl-1H-pyrrol-2-yl]methylidene]-3-pyrazin-2-yl-1H-pyrazol-5-one
CID 152770783

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide (CID 135724335) is N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2/C(=O)NN=C2c2cnccn2)c(C)c1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JBOPJDKNLAGHHV-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-11-14(23-12(2)16(11)19(28)22-7-8-26(3)4)9-13-17(24-25-18(13)27)15-10-20-5-6-21-15/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,28)(H,25,27)/b13-9+.
What are the key properties of N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,4-dimethyl-5-[(E)-(5-oxo-3-pyrazin-2-yl-1H-pyrazol-4-ylidene)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 135724335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).