[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid

C11H10FN3O2 — CID 69075469

IUPAC[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
SMILESO=C(O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C11H10FN3O2/c12-9-3-1-8(2-4-9)6-15-7-10(5-13-15)14-11(16)17/h1-5,7,14H,6H2,(H,16,17)
InChIKeyYVXDRMAFAGUIQP-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.16
Rot. Bonds3

About [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid

[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid (PubChem CID 69075469) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
PubChem CID69075469
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
SMILESO=C(O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C11H10FN3O2/c12-9-3-1-8(2-4-9)6-15-7-10(5-13-15)14-11(16)17/h1-5,7,14H,6H2,(H,16,17)
InChIKeyYVXDRMAFAGUIQP-UHFFFAOYSA-N
XLogP2.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
1-(1-benzylpyrazol-4-yl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342547
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342399
3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410011
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19410058
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]thiourea
CID 19676762
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 19342544
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410039

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid?
The IUPAC name of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid (CID 69075469) is [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid is O=C(O)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid?
The InChIKey is YVXDRMAFAGUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-9-3-1-8(2-4-9)6-15-7-10(5-13-15)14-11(16)17/h1-5,7,14H,6H2,(H,16,17).
What are the key properties of [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid?
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid has a molecular weight of 235.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid is sourced from PubChem (CID 69075469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).