2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid

C18H29N3O3 — CID 120528568

IUPAC2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCCC(C)n1ncc(C(=O)NCC(CC(C)C)C(=O)O)c1C1CC1
InChIInChI=1S/C18H29N3O3/c1-5-12(4)21-16(13-6-7-13)15(10-20-21)17(22)19-9-14(18(23)24)8-11(2)3/h10-14H,5-9H2,1-4H3,(H,19,22)(H,23,24)
InChIKeyUYIDLGNDMQWOKI-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.21
Rot. Bonds9

About 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid

2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 120528568) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid
PubChem CID120528568
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCCC(C)n1ncc(C(=O)NCC(CC(C)C)C(=O)O)c1C1CC1
InChIInChI=1S/C18H29N3O3/c1-5-12(4)21-16(13-6-7-13)15(10-20-21)17(22)19-9-14(18(23)24)8-11(2)3/h10-14H,5-9H2,1-4H3,(H,19,22)(H,23,24)
InChIKeyUYIDLGNDMQWOKI-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524544
1-[(2R)-butan-2-yl]-5-cyclopropyl-N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 99791217
1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
CID 97101008
4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 120528638
1-butan-2-yl-5-cyclopropyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 75517931
2-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119252730
1-(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117110
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
2-benzyl-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525159
2-[4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]-2-chlorophenoxy]acetic acid
CID 120531954
1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
CID 75434171
(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone
CID 119042970

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid (CID 120528568) is 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid is CCC(C)n1ncc(C(=O)NCC(CC(C)C)C(=O)O)c1C1CC1.
What is the InChIKey of 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is UYIDLGNDMQWOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-5-12(4)21-16(13-6-7-13)15(10-20-21)17(22)19-9-14(18(23)24)8-11(2)3/h10-14H,5-9H2,1-4H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid?
2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 335.45 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 120528568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).