5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

C18H16F3N5O2 — CID 99874832

IUPAC5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)11-3-4-16(22-9-11)26-6-5-12(10-26)23-17(27)14-8-13(24-25-14)15-2-1-7-28-15/h1-4,7-9,12H,5-6,10H2,(H,23,27)(H,24,25)/t12-/m1/s1
InChIKeyALCRUMDHFSVQGK-GFCCVEGCSA-N
MW391.35 g/mol
LogP3.09
Rot. Bonds4

About 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 99874832) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID99874832
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)11-3-4-16(22-9-11)26-6-5-12(10-26)23-17(27)14-8-13(24-25-14)15-2-1-7-28-15/h1-4,7-9,12H,5-6,10H2,(H,23,27)(H,24,25)/t12-/m1/s1
InChIKeyALCRUMDHFSVQGK-GFCCVEGCSA-N
XLogP3.09
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 645008
5-(furan-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 652821
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-fluoro-benzyl)-1H-pyrazol-4-yl]-amide
CID 654644
5-(furan-2-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 659818
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-methyl-benzyl)-1H-pyrazol-3-yl]-amide
CID 1165076
5-(2-furyl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3242814
N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(2-furyl)-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-1H-pyrazole-4-carboxamide
CID 45167455
N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-7-[2-(furan-2-yl)pyrrolidin-1-yl]-7-oxoheptanamide
CID 122190502
N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-7-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-7-oxoheptanamide
CID 122190504
N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-7-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-7-oxoheptanamide
CID 122190505
N-[1-[6-(furan-2-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 137651884
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045056

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (CID 99874832) is 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ALCRUMDHFSVQGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c19-18(20,21)11-3-4-16(22-9-11)26-6-5-12(10-26)23-17(27)14-8-13(24-25-14)15-2-1-7-28-15/h1-4,7-9,12H,5-6,10H2,(H,23,27)(H,24,25)/t12-/m1/s1.
What are the key properties of 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 99874832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).