N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride

C16H20ClFN4O2 — CID 154896280

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccccc1-n1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cn1.Cl
InChIInChI=1S/C16H19FN4O2.ClH/c1-23-15-5-3-2-4-14(15)21-10-11(7-20-21)16(22)19-9-13-6-12(17)8-18-13;/h2-5,7,10,12-13,18H,6,8-9H2,1H3,(H,19,22);1H/t12-,13-;/m0./s1
InChIKeyRTWILQAPTHZJAH-QNTKWALQSA-N
MW354.81 g/mol
LogP1.73
Rot. Bonds5

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 154896280) has the molecular formula C16H20ClFN4O2 and a molecular weight of 354.81 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID154896280
Molecular FormulaC16H20ClFN4O2
Molecular Weight354.81 g/mol
Exact Mass354.13
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccccc1-n1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cn1.Cl
InChIInChI=1S/C16H19FN4O2.ClH/c1-23-15-5-3-2-4-14(15)21-10-11(7-20-21)16(22)19-9-13-6-12(17)8-18-13;/h2-5,7,10,12-13,18H,6,8-9H2,1H3,(H,19,22);1H/t12-,13-;/m0./s1
InChIKeyRTWILQAPTHZJAH-QNTKWALQSA-N
XLogP1.73
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide
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1-(2-methoxyphenyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride (CID 154896280) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride is COc1ccccc1-n1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cn1.Cl.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is RTWILQAPTHZJAH-QNTKWALQSA-N. The full InChI is InChI=1S/C16H19FN4O2.ClH/c1-23-15-5-3-2-4-14(15)21-10-11(7-20-21)16(22)19-9-13-6-12(17)8-18-13;/h2-5,7,10,12-13,18H,6,8-9H2,1H3,(H,19,22);1H/t12-,13-;/m0./s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 354.81 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 154896280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).