1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide

C17H20FN3O3 — CID 111911950

IUPAC1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2(O)CCCC2)n1
InChIInChI=1S/C17H20FN3O3/c1-11-8-12(18)4-5-13(11)21-9-14(22)15(20-21)16(23)19-10-17(24)6-2-3-7-17/h4-5,8-9,22,24H,2-3,6-7,10H2,1H3,(H,19,23)
InChIKeyBIRWVZUBDNKQJG-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.06
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide (PubChem CID 111911950) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
PubChem CID111911950
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2(O)CCCC2)n1
InChIInChI=1S/C17H20FN3O3/c1-11-8-12(18)4-5-13(11)21-9-14(22)15(20-21)16(23)19-10-17(24)6-2-3-7-17/h4-5,8-9,22,24H,2-3,6-7,10H2,1H3,(H,19,23)
InChIKeyBIRWVZUBDNKQJG-UHFFFAOYSA-N
XLogP2.06
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide (CID 111911950) is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2(O)CCCC2)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide?
The InChIKey is BIRWVZUBDNKQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-8-12(18)4-5-13(11)21-9-14(22)15(20-21)16(23)19-10-17(24)6-2-3-7-17/h4-5,8-9,22,24H,2-3,6-7,10H2,1H3,(H,19,23).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 111911950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).