2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C18H21N3O3 — CID 120696283

IUPAC2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C18H21N3O3/c1-17(2,16(23)24)21-12-14(11-19-21)20-15(22)18(8-9-18)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyCXYIMTFUYOIHTK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.66
Rot. Bonds6

About 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696283) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696283
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)C2(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C18H21N3O3/c1-17(2,16(23)24)21-12-14(11-19-21)20-15(22)18(8-9-18)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyCXYIMTFUYOIHTK-UHFFFAOYSA-N
XLogP2.66
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-benzylcyclobutanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697767
2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697304
2-[4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696186
2-[4-[(1-benzoyl-3-methylpiperidine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697164
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
2-[4-[(2-methoxy-2-phenylpropanoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696536
2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696919
2-methyl-2-[4-[[(2S)-2-phenylpropanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696756
2-[4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696902
2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
CID 122108714
2-[4-[(4,4-difluorocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696423

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696283) is 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)C2(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is CXYIMTFUYOIHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-17(2,16(23)24)21-12-14(11-19-21)20-15(22)18(8-9-18)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).