2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid

C16H23N3O3 — CID 119214078

IUPAC2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
SMILESCC(C)(C)n1nc(C(=O)NC(C(=O)O)C2CC2)cc1C1CC1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19-12(9-4-5-9)8-11(18-19)14(20)17-13(15(21)22)10-6-7-10/h8-10,13H,4-7H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyAOWPNWYNSADHES-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.11
Rot. Bonds5

About 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid

2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid (PubChem CID 119214078) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
PubChem CID119214078
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
SMILESCC(C)(C)n1nc(C(=O)NC(C(=O)O)C2CC2)cc1C1CC1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19-12(9-4-5-9)8-11(18-19)14(20)17-13(15(21)22)10-6-7-10/h8-10,13H,4-7H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyAOWPNWYNSADHES-UHFFFAOYSA-N
XLogP2.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543473
1-tert-butyl-5-cyclopropyl-N-[2-(dimethylamino)-1-phenylethyl]pyrazole-3-carboxamide
CID 87010988
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119213991
N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
CID 119495118
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119455407
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087
methyl (3S)-3-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 52639900
2-[[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243382
2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119349056

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid (CID 119214078) is 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid is CC(C)(C)n1nc(C(=O)NC(C(=O)O)C2CC2)cc1C1CC1.
What is the InChIKey of 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid?
The InChIKey is AOWPNWYNSADHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)19-12(9-4-5-9)8-11(18-19)14(20)17-13(15(21)22)10-6-7-10/h8-10,13H,4-7H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid?
2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid has a molecular weight of 305.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 119214078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).