1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide

C15H15FN6O — CID 71535123

IUPAC1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
SMILESN#CC[C@H](C1CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
InChIInChI=1S/C15H15FN6O/c16-13-7-10(4-6-19-13)20-15-11(14(18)23)8-22(21-15)12(3-5-17)9-1-2-9/h4,6-9,12H,1-3H2,(H2,18,23)(H,19,20,21)/t12-/m1/s1
InChIKeyRBHGKYJXGOGINC-GFCCVEGCSA-N
MW314.32 g/mol
LogP2.12
Rot. Bonds6

About 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide

1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide (PubChem CID 71535123) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
PubChem CID71535123
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide
SMILESN#CC[C@H](C1CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1
InChIInChI=1S/C15H15FN6O/c16-13-7-10(4-6-19-13)20-15-11(14(18)23)8-22(21-15)12(3-5-17)9-1-2-9/h4,6-9,12H,1-3H2,(H2,18,23)(H,19,20,21)/t12-/m1/s1
InChIKeyRBHGKYJXGOGINC-GFCCVEGCSA-N
XLogP2.12
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide (CID 71535123) is 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide is N#CC[C@H](C1CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1.
What is the InChIKey of 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
The InChIKey is RBHGKYJXGOGINC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-13-7-10(4-6-19-13)20-15-11(14(18)23)8-22(21-15)12(3-5-17)9-1-2-9/h4,6-9,12H,1-3H2,(H2,18,23)(H,19,20,21)/t12-/m1/s1.
What are the key properties of 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide?
1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyano-1-cyclopropylethyl]-3-[(2-fluoro-4-pyridinyl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 71535123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).