4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide

C15H26N4O — CID 71981500

IUPAC4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
SMILESCC(C)n1cc(NC(=O)N2CCCC(C)(C)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-12(2)19-11-13(10-16-19)17-14(20)18-8-5-6-15(3,4)7-9-18/h10-12H,5-9H2,1-4H3,(H,17,20)
InChIKeyLFNLAGNBFRTGJT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.51
Rot. Bonds2

About 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide

4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide (PubChem CID 71981500) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
PubChem CID71981500
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
SMILESCC(C)n1cc(NC(=O)N2CCCC(C)(C)CC2)cn1
InChIInChI=1S/C15H26N4O/c1-12(2)19-11-13(10-16-19)17-14(20)18-8-5-6-15(3,4)7-9-18/h10-12H,5-9H2,1-4H3,(H,17,20)
InChIKeyLFNLAGNBFRTGJT-UHFFFAOYSA-N
XLogP3.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
2-[4-[(4,4-dimethylazepane-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65282174
4-(2,2-difluoroethyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,4-diazepane-1-carboxamide
CID 84592535
2-[4-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 62901981
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
5-[(4,4-dimethylazepane-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 65282409
3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 71970584
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
1-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 75511870
4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
CID 115660921
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide?
The IUPAC name of 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide (CID 71981500) is 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide is CC(C)n1cc(NC(=O)N2CCCC(C)(C)CC2)cn1.
What is the InChIKey of 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide?
The InChIKey is LFNLAGNBFRTGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)19-11-13(10-16-19)17-14(20)18-8-5-6-15(3,4)7-9-18/h10-12H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide?
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide is sourced from PubChem (CID 71981500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).