1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide

C23H28N4O4S — CID 17024359

IUPAC1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C23H28N4O4S/c1-4-27-15-20(22(26-27)23(29)24-14-16(2)3)25-21(28)11-12-32(30,31)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13,15-16H,4,11-12,14H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyBFJZXIAFXYAJQB-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.24
Rot. Bonds9

About 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide

1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide (PubChem CID 17024359) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
PubChem CID17024359
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C23H28N4O4S/c1-4-27-15-20(22(26-27)23(29)24-14-16(2)3)25-21(28)11-12-32(30,31)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13,15-16H,4,11-12,14H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyBFJZXIAFXYAJQB-UHFFFAOYSA-N
XLogP3.24
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(benzenesulfonyl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19584135
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-naphthalen-2-ylsulfonylpropanamide
CID 51392312
N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
CID 17023863
N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide
CID 17024037
1-ethyl-N-(2-methylpropyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570015
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402564
1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
CID 19402676
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19525036
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448033
4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402498
4-(butylcarbamoylamino)-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448031
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402528

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide (CID 17024359) is 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide is CCn1cc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide?
The InChIKey is BFJZXIAFXYAJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-4-27-15-20(22(26-27)23(29)24-14-16(2)3)25-21(28)11-12-32(30,31)19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13,15-16H,4,11-12,14H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide?
1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methylpropyl)-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 17024359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).