5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H20N4O3 — CID 95221445

IUPAC5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H20N4O3/c22-16(14-9-13(19-20-14)11-5-6-11)18-12-3-1-7-21(10-12)17(23)15-4-2-8-24-15/h2,4,8-9,11-12H,1,3,5-7,10H2,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyQPWUGGGKEXFFAD-LBPRGKRZSA-N
MW328.37 g/mol
LogP1.91
Rot. Bonds4

About 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 95221445) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID95221445
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H20N4O3/c22-16(14-9-13(19-20-14)11-5-6-11)18-12-3-1-7-21(10-12)17(23)15-4-2-8-24-15/h2,4,8-9,11-12H,1,3,5-7,10H2,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyQPWUGGGKEXFFAD-LBPRGKRZSA-N
XLogP1.91
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N-[1-(furan-2-carbonyl)piperidin-3-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 91829889
N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74247026
N-cyclopentyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 110268886
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
N-[2-[[1-(furan-2-carbonyl)piperidin-3-yl]carbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 131907567
N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97433741
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 131942294
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
CID 137225405
furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 95221445) is 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is QPWUGGGKEXFFAD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(14-9-13(19-20-14)11-5-6-11)18-12-3-1-7-21(10-12)17(23)15-4-2-8-24-15/h2,4,8-9,11-12H,1,3,5-7,10H2,(H,18,22)(H,19,20)/t12-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95221445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).