1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 120543687

IUPAC1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NCC2(C(=O)O)CCCCC2)nn1C
InChIInChI=1S/C14H21N3O3/c1-10-8-11(16-17(10)2)12(18)15-9-14(13(19)20)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyVXLRSWGOWPXIPG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.49
Rot. Bonds4

About 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120543687) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120543687
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)NCC2(C(=O)O)CCCCC2)nn1C
InChIInChI=1S/C14H21N3O3/c1-10-8-11(16-17(10)2)12(18)15-9-14(13(19)20)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyVXLRSWGOWPXIPG-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 113236280
1-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 122108610
1-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433032
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560347
1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539320
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 111110498
1-[[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544814
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104638379
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037

Frequently Asked Questions

What is the IUPAC name of 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 120543687) is 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)NCC2(C(=O)O)CCCCC2)nn1C.
What is the InChIKey of 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VXLRSWGOWPXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-8-11(16-17(10)2)12(18)15-9-14(13(19)20)6-4-3-5-7-14/h8H,3-7,9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120543687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).