4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H25N3O3 — CID 119229364

IUPAC4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nc(C(C)(C)C)cc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)13-9-12(19(4)18-13)14(20)17-11-7-5-10(6-8-11)15(21)22/h9-11H,5-8H2,1-4H3,(H,17,20)(H,21,22)
InChIKeySFGRTZAIVUZNOW-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.09
Rot. Bonds3

About 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229364) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229364
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nc(C(C)(C)C)cc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)13-9-12(19(4)18-13)14(20)17-11-7-5-10(6-8-11)15(21)22/h9-11H,5-8H2,1-4H3,(H,17,20)(H,21,22)
InChIKeySFGRTZAIVUZNOW-UHFFFAOYSA-N
XLogP2.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 66120116
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354004
3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
CID 124590446
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
1-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235877
1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 156608717
3-(3-tert-butyl-1-methylpyrazol-5-yl)-3-oxopropanoic acid
CID 170887044
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119229364) is 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1nc(C(C)(C)C)cc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SFGRTZAIVUZNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)13-9-12(19(4)18-13)14(20)17-11-7-5-10(6-8-11)15(21)22/h9-11H,5-8H2,1-4H3,(H,17,20)(H,21,22).
What are the key properties of 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).