1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide

C16H19FN4O2 — CID 99850331

IUPAC1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C16H19FN4O2/c1-10-11(16(22)20-13-8-18-9-15(13)23-2)7-19-21(10)14-6-4-3-5-12(14)17/h3-7,13,15,18H,8-9H2,1-2H3,(H,20,22)/t13-,15-/m0/s1
InChIKeyQYKZGEVYJWHKCA-ZFWWWQNUSA-N
MW318.35 g/mol
LogP1.04
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 99850331) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
PubChem CID99850331
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCO[C@H]1CNC[C@@H]1NC(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C16H19FN4O2/c1-10-11(16(22)20-13-8-18-9-15(13)23-2)7-19-21(10)14-6-4-3-5-12(14)17/h3-7,13,15,18H,8-9H2,1-2H3,(H,20,22)/t13-,15-/m0/s1
InChIKeyQYKZGEVYJWHKCA-ZFWWWQNUSA-N
XLogP1.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide (CID 99850331) is 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide is CO[C@H]1CNC[C@@H]1NC(=O)c1cnn(-c2ccccc2F)c1C.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is QYKZGEVYJWHKCA-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-11(16(22)20-13-8-18-9-15(13)23-2)7-19-21(10)14-6-4-3-5-12(14)17/h3-7,13,15,18H,8-9H2,1-2H3,(H,20,22)/t13-,15-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99850331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).