1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid

C16H25N3O3 — CID 120539118

IUPAC1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(C)c1cc(C(=O)NC2(C(=O)O)CCCCCC2)n(C)n1
InChIInChI=1S/C16H25N3O3/c1-11(2)12-10-13(19(3)18-12)14(20)17-16(15(21)22)8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyDQNFCYYTUIAVHZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.45
Rot. Bonds4

About 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 120539118) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID120539118
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(C)c1cc(C(=O)NC2(C(=O)O)CCCCCC2)n(C)n1
InChIInChI=1S/C16H25N3O3/c1-11(2)12-10-13(19(3)18-12)14(20)17-16(15(21)22)8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyDQNFCYYTUIAVHZ-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid with MolForge

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Related Compounds

N-(1-cyclopropylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 166326688
1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402967
1-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538586
1-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43640141
1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43350928
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889563
1-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351031
1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
CID 77087471
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
1-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639770
N-(1-carbamothioylcyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120336
1-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639874

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 120539118) is 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid is CC(C)c1cc(C(=O)NC2(C(=O)O)CCCCCC2)n(C)n1.
What is the InChIKey of 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is DQNFCYYTUIAVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)12-10-13(19(3)18-12)14(20)17-16(15(21)22)8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120539118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).