1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide

C12H18N4O3 — CID 19400133

IUPAC1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)C(C)=O
InChIInChI=1S/C12H18N4O3/c1-4-6-13-12(19)10-9(7-16(5-2)15-10)14-11(18)8(3)17/h7H,4-6H2,1-3H3,(H,13,19)(H,14,18)
InChIKeyJBWKLAMLQWDLSQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.57
Rot. Bonds6

About 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide

1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide (PubChem CID 19400133) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
PubChem CID19400133
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)C(C)=O
InChIInChI=1S/C12H18N4O3/c1-4-6-13-12(19)10-9(7-16(5-2)15-10)14-11(18)8(3)17/h7H,4-6H2,1-3H3,(H,13,19)(H,14,18)
InChIKeyJBWKLAMLQWDLSQ-UHFFFAOYSA-N
XLogP0.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
CID 19398463
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398392
4-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398509
4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
1-ethyl-N-propyl-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400096
(1S,2S,3S,4R)-3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 40610895
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19448005
1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470768
4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398356
4-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398520
1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide
CID 19398313

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide (CID 19400133) is 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)C(C)=O.
What is the InChIKey of 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide?
The InChIKey is JBWKLAMLQWDLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-6-13-12(19)10-9(7-16(5-2)15-10)14-11(18)8(3)17/h7H,4-6H2,1-3H3,(H,13,19)(H,14,18).
What are the key properties of 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide?
1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19400133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).