4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C17H25ClN6O2 — CID 4776458

IUPAC4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H25ClN6O2/c1-6-23-9-14(15(22-23)17(26)19-7-10(2)3)21-16(25)12(5)24-11(4)13(18)8-20-24/h8-10,12H,6-7H2,1-5H3,(H,19,26)(H,21,25)
InChIKeyXTFUZXGOTAEFEW-UHFFFAOYSA-N
MW380.88 g/mol
LogP2.65
Rot. Bonds7

About 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 4776458) has the molecular formula C17H25ClN6O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID4776458
Molecular FormulaC17H25ClN6O2
Molecular Weight380.88 g/mol
Exact Mass380.17
IUPAC Name4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H25ClN6O2/c1-6-23-9-14(15(22-23)17(26)19-7-10(2)3)21-16(25)12(5)24-11(4)13(18)8-20-24/h8-10,12H,6-7H2,1-5H3,(H,19,26)(H,21,25)
InChIKeyXTFUZXGOTAEFEW-UHFFFAOYSA-N
XLogP2.65
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415390
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415399
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415406
4-(azetidine-1-carbonyl)-N-[5-(ethylcarbamoyl)-1-methylpyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415434
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415439
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
CID 4776652
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916
4-chloro-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 17024057
4-chloro-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19263329
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 4776458) is 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)C(C)n2ncc(Cl)c2C)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is XTFUZXGOTAEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN6O2/c1-6-23-9-14(15(22-23)17(26)19-7-10(2)3)21-16(25)12(5)24-11(4)13(18)8-20-24/h8-10,12H,6-7H2,1-5H3,(H,19,26)(H,21,25).
What are the key properties of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4776458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).