1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide

C12H13F3N6O2 — CID 164642337

IUPAC1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide
SMILESCn1cc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)c(C(N)=O)n1
InChIInChI=1S/C12H13F3N6O2/c1-20-6-7(10(19-20)11(16)23)18-9(22)5-8(12(13,14)15)21-4-2-3-17-21/h2-4,6,8H,5H2,1H3,(H2,16,23)(H,18,22)/t8-/m0/s1
InChIKeyCQVOVFGGDAMQAA-QMMMGPOBSA-N
MW330.27 g/mol
LogP0.85
Rot. Bonds5

About 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide

1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide (PubChem CID 164642337) has the molecular formula C12H13F3N6O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide
PubChem CID164642337
Molecular FormulaC12H13F3N6O2
Molecular Weight330.27 g/mol
Exact Mass330.11
IUPAC Name1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide
SMILESCn1cc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)c(C(N)=O)n1
InChIInChI=1S/C12H13F3N6O2/c1-20-6-7(10(19-20)11(16)23)18-9(22)5-8(12(13,14)15)21-4-2-3-17-21/h2-4,6,8H,5H2,1H3,(H2,16,23)(H,18,22)/t8-/m0/s1
InChIKeyCQVOVFGGDAMQAA-QMMMGPOBSA-N
XLogP0.85
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
(1-methyl-4-nitro-1H-pyrazol-3-yl)(1H-pyrazol-1-yl)methanone
CID 674662
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-(1,3-dimethyl-1H-pyrazol-4-yl)-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 831427
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
1-ethyl-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1H-pyrazole-3-carboxamide
CID 4772788
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide (CID 164642337) is 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide is Cn1cc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)c(C(N)=O)n1.
What is the InChIKey of 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide?
The InChIKey is CQVOVFGGDAMQAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13F3N6O2/c1-20-6-7(10(19-20)11(16)23)18-9(22)5-8(12(13,14)15)21-4-2-3-17-21/h2-4,6,8H,5H2,1H3,(H2,16,23)(H,18,22)/t8-/m0/s1.
What are the key properties of 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide?
1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(3S)-4,4,4-trifluoro-3-pyrazol-1-ylbutanoyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 164642337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).