N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide

C20H25N5O — CID 75390710

IUPACN-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)n[nH]1
InChIInChI=1S/C20H25N5O/c1-14(2)18-12-19(23-22-18)20(26)25(13-15-6-5-11-21-15)17-9-7-16(8-10-17)24(3)4/h5-12,14,21H,13H2,1-4H3,(H,22,23)
InChIKeyDAQYATGBQBSLBM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.77
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 75390710) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID75390710
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)n[nH]1
InChIInChI=1S/C20H25N5O/c1-14(2)18-12-19(23-22-18)20(26)25(13-15-6-5-11-21-15)17-9-7-16(8-10-17)24(3)4/h5-12,14,21H,13H2,1-4H3,(H,22,23)
InChIKeyDAQYATGBQBSLBM-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 75390710) is N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N(Cc2ccc[nH]2)c2ccc(N(C)C)cc2)n[nH]1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DAQYATGBQBSLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14(2)18-12-19(23-22-18)20(26)25(13-15-6-5-11-21-15)17-9-7-16(8-10-17)24(3)4/h5-12,14,21H,13H2,1-4H3,(H,22,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-propan-2-yl-N-(1H-pyrrol-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 75390710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).