1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide

C18H20N6O2 — CID 19517011

IUPAC1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2ccc(C)n2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H20N6O2/c1-3-23-11-15(20-16(25)12-24-10-9-13(2)21-24)17(22-23)18(26)19-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,26)(H,20,25)
InChIKeyMVMAUZWDCGKHLP-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.30
Rot. Bonds6

About 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide

1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide (PubChem CID 19517011) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
PubChem CID19517011
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2ccc(C)n2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H20N6O2/c1-3-23-11-15(20-16(25)12-24-10-9-13(2)21-24)17(22-23)18(26)19-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,26)(H,20,25)
InChIKeyMVMAUZWDCGKHLP-UHFFFAOYSA-N
XLogP2.30
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
CID 19516989
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19270655
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
CID 19404758
4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404759
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 4865294
2-(3-methylpyrazol-1-yl)-N-pyridin-4-ylacetamide
CID 19516801
4-[[4-[(2,6-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404746
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504722

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide (CID 19517011) is 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2ccc(C)n2)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide?
The InChIKey is MVMAUZWDCGKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-23-11-15(20-16(25)12-24-10-9-13(2)21-24)17(22-23)18(26)19-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,19,26)(H,20,25).
What are the key properties of 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide?
1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 19517011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).