4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide

C16H20N4O3 — CID 22726996

IUPAC4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(N)=O)c1NC(=O)c1ccccc1OCC
InChIInChI=1S/C16H20N4O3/c1-3-7-11-13(14(15(17)21)20-19-11)18-16(22)10-8-5-6-9-12(10)23-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyHHLIJPUCDKECCR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.11
Rot. Bonds7

About 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide

4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 22726996) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID22726996
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(N)=O)c1NC(=O)c1ccccc1OCC
InChIInChI=1S/C16H20N4O3/c1-3-7-11-13(14(15(17)21)20-19-11)18-16(22)10-8-5-6-9-12(10)23-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyHHLIJPUCDKECCR-UHFFFAOYSA-N
XLogP2.11
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 68522911
5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide
CID 70092465
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(1H-imidazol-2-yl)benzamide
CID 60967218
N-(2-amino-6-fluorophenyl)-2-ethoxybenzamide
CID 81313737
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide
CID 23187291
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide (CID 22726996) is 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(N)=O)c1NC(=O)c1ccccc1OCC.
What is the InChIKey of 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is HHLIJPUCDKECCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-7-11-13(14(15(17)21)20-19-11)18-16(22)10-8-5-6-9-12(10)23-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,21)(H,18,22)(H,19,20).
What are the key properties of 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide?
4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 22726996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).