N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide

C16H18FN5O2 — CID 86787736

IUPACN-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)NC2CCN(C(N)=O)C2)n1
InChIInChI=1S/C16H18FN5O2/c1-10-8-11(17)2-3-14(10)22-7-5-13(20-22)15(23)19-12-4-6-21(9-12)16(18)24/h2-3,5,7-8,12H,4,6,9H2,1H3,(H2,18,24)(H,19,23)
InChIKeyVSSBCESFLTWMOI-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.20
Rot. Bonds3

About N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide

N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 86787736) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
PubChem CID86787736
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC NameN-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)NC2CCN(C(N)=O)C2)n1
InChIInChI=1S/C16H18FN5O2/c1-10-8-11(17)2-3-14(10)22-7-5-13(20-22)15(23)19-12-4-6-21(9-12)16(18)24/h2-3,5,7-8,12H,4,6,9H2,1H3,(H2,18,24)(H,19,23)
InChIKeyVSSBCESFLTWMOI-UHFFFAOYSA-N
XLogP1.20
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (CID 86787736) is N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1ccc(C(=O)NC2CCN(C(N)=O)C2)n1.
What is the InChIKey of N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is VSSBCESFLTWMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-10-8-11(17)2-3-14(10)22-7-5-13(20-22)15(23)19-12-4-6-21(9-12)16(18)24/h2-3,5,7-8,12H,4,6,9H2,1H3,(H2,18,24)(H,19,23).
What are the key properties of N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 86787736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).