N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H19FN4O2S — CID 166351801

IUPACN-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCN(C(=O)c3cscc3F)C2)n[nH]1
InChIInChI=1S/C16H19FN4O2S/c1-9(2)13-5-14(20-19-13)15(22)18-10-3-4-21(6-10)16(23)11-7-24-8-12(11)17/h5,7-10H,3-4,6H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyIPMYEQPLJAWGKY-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 166351801) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID166351801
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCN(C(=O)c3cscc3F)C2)n[nH]1
InChIInChI=1S/C16H19FN4O2S/c1-9(2)13-5-14(20-19-13)15(22)18-10-3-4-21(6-10)16(23)11-7-24-8-12(11)17/h5,7-10H,3-4,6H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyIPMYEQPLJAWGKY-UHFFFAOYSA-N
XLogP2.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 167924107
4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 166351781
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 166351832
2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 121279734
1-methyl-N-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279422
3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 121279749
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 121279593
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide
CID 121279565
1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279425
N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47910268
(5-propan-2-yl-1H-pyrazol-3-yl)-[3-[(3,3,3-trifluoro-1-hydroxypropyl)amino]pyrrolidin-1-yl]methanone
CID 162575493

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 166351801) is N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCN(C(=O)c3cscc3F)C2)n[nH]1.
What is the InChIKey of N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is IPMYEQPLJAWGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-9(2)13-5-14(20-19-13)15(22)18-10-3-4-21(6-10)16(23)11-7-24-8-12(11)17/h5,7-10H,3-4,6H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166351801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).