2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C19H22FN3O3 — CID 120696919

IUPAC2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)cn1
InChIInChI=1S/C19H22FN3O3/c1-18(2,17(25)26)23-12-15(11-21-23)22-16(24)19(8-3-4-9-19)13-6-5-7-14(20)10-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyVYUYTBNLXJMCST-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.29
Rot. Bonds5

About 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696919) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696919
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)cn1
InChIInChI=1S/C19H22FN3O3/c1-18(2,17(25)26)23-12-15(11-21-23)22-16(24)19(8-3-4-9-19)13-6-5-7-14(20)10-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyVYUYTBNLXJMCST-UHFFFAOYSA-N
XLogP3.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696186
2-[4-[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696695
2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696531
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56821455
2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
2-[4-[(1-benzylcyclobutanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697767
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696283
2-[4-[[2-(2,5-difluorophenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696427

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696919) is 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)cn1.
What is the InChIKey of 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is VYUYTBNLXJMCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-18(2,17(25)26)23-12-15(11-21-23)22-16(24)19(8-3-4-9-19)13-6-5-7-14(20)10-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 359.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).