5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

C17H18FN5O — CID 95202437

IUPAC5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(C[C@H](C)NC(=O)c2cn[nH]c2-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C17H18FN5O/c1-10(6-14-7-11(2)21-22-14)20-17(24)15-9-19-23-16(15)12-4-3-5-13(18)8-12/h3-5,7-10H,6H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)/t10-/m0/s1
InChIKeySGGLEJBLXKKSFJ-JTQLQIEISA-N
MW327.36 g/mol
LogP2.61
Rot. Bonds5

About 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95202437) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID95202437
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(C[C@H](C)NC(=O)c2cn[nH]c2-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C17H18FN5O/c1-10(6-14-7-11(2)21-22-14)20-17(24)15-9-19-23-16(15)12-4-3-5-13(18)8-12/h3-5,7-10H,6H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)/t10-/m0/s1
InChIKeySGGLEJBLXKKSFJ-JTQLQIEISA-N
XLogP2.61
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide (CID 95202437) is 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide is Cc1cc(C[C@H](C)NC(=O)c2cn[nH]c2-c2cccc(F)c2)n[nH]1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is SGGLEJBLXKKSFJ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18FN5O/c1-10(6-14-7-11(2)21-22-14)20-17(24)15-9-19-23-16(15)12-4-3-5-13(18)8-12/h3-5,7-10H,6H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)/t10-/m0/s1.
What are the key properties of 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95202437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).