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

C18H16F3N5O2 — CID 99874833

IUPAC5-(furan-2-yl)-N-[(3S)-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-/m0/s1
InChIKeyALCRUMDHFSVQGK-LBPRGKRZSA-N
MW391.35 g/mol
LogP3.09
Rot. Bonds4

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

5-(furan-2-yl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 99874833) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID99874833
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name5-(furan-2-yl)-N-[(3S)-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-/m0/s1
InChIKeyALCRUMDHFSVQGK-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide (CID 99874833) is 5-(furan-2-yl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(3S)-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-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ALCRUMDHFSVQGK-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 5-(furan-2-yl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(3S)-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-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 99874833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).