1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide

C17H19N5O — CID 19477921

IUPAC1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C17H19N5O/c1-3-21-13-15(11-19-21)17(23)20(2)12-14-5-7-16(8-6-14)22-10-4-9-18-22/h4-11,13H,3,12H2,1-2H3
InChIKeyHVCBQVLXYITWRZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.36
Rot. Bonds5

About 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide

1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 19477921) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID19477921
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C17H19N5O/c1-3-21-13-15(11-19-21)17(23)20(2)12-14-5-7-16(8-6-14)22-10-4-9-18-22/h4-11,13H,3,12H2,1-2H3
InChIKeyHVCBQVLXYITWRZ-UHFFFAOYSA-N
XLogP2.36
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 19277952
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
6-chloro-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 70756144
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 154894262

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide (CID 19477921) is 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1.
What is the InChIKey of 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is HVCBQVLXYITWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-21-13-15(11-19-21)17(23)20(2)12-14-5-7-16(8-6-14)22-10-4-9-18-22/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide?
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19477921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).