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

C17H19N5O — CID 137169810

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(-c3ccc[nH]3)n[nH]2)cc1
InChIInChI=1S/C17H19N5O/c1-22(2)13-7-5-12(6-8-13)11-19-17(23)16-10-15(20-21-16)14-4-3-9-18-14/h3-10,18H,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyLNXHPCFRXAXIAH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.40
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 137169810) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID137169810
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(-c3ccc[nH]3)n[nH]2)cc1
InChIInChI=1S/C17H19N5O/c1-22(2)13-7-5-12(6-8-13)11-19-17(23)16-10-15(20-21-16)14-4-3-9-18-14/h3-10,18H,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyLNXHPCFRXAXIAH-UHFFFAOYSA-N
XLogP2.40
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918176
N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110470852
N-(3-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 136665405
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide
CID 166232226
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 104741972

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 137169810) is N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is CN(C)c1ccc(CNC(=O)c2cc(-c3ccc[nH]3)n[nH]2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is LNXHPCFRXAXIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-22(2)13-7-5-12(6-8-13)11-19-17(23)16-10-15(20-21-16)14-4-3-9-18-14/h3-10,18H,11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137169810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).