3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid

C18H17FN4O2 — CID 121366258

IUPAC3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(Cn3cc(F)cn3)cc2)nc1C1CC1
InChIInChI=1S/C18H17FN4O2/c19-15-7-20-22(10-15)8-12-1-3-13(4-2-12)9-23-11-16(18(24)25)17(21-23)14-5-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,24,25)
InChIKeyPXUGGQKVAFXALY-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.89
Rot. Bonds6

About 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid

3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid (PubChem CID 121366258) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid
PubChem CID121366258
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(Cn3cc(F)cn3)cc2)nc1C1CC1
InChIInChI=1S/C18H17FN4O2/c19-15-7-20-22(10-15)8-12-1-3-13(4-2-12)9-23-11-16(18(24)25)17(21-23)14-5-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,24,25)
InChIKeyPXUGGQKVAFXALY-UHFFFAOYSA-N
XLogP2.89
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-cyclopropylpyrazole-4-carboxamide
CID 156875605
3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid
CID 19622820
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 63275359
4-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzoic acid
CID 163359312
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidine-2-carboxylic acid
CID 122040486
4-[(3-cyclopropylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 106698875
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanoic acid
CID 122240608
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
CID 114012415
1-benzyl-5-fluoropyrazole-4-carboxylic acid
CID 115031839
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
CID 120834479

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid (CID 121366258) is 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid is O=C(O)c1cn(Cc2ccc(Cn3cc(F)cn3)cc2)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is PXUGGQKVAFXALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-7-20-22(10-15)8-12-1-3-13(4-2-12)9-23-11-16(18(24)25)17(21-23)14-5-6-14/h1-4,7,10-11,14H,5-6,8-9H2,(H,24,25).
What are the key properties of 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid?
3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 121366258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).