N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide

C14H25N5O — CID 59535464

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)N1CCCNCC1
InChIInChI=1S/C14H25N5O/c1-14(2,3)11-10-12(18(4)17-11)16-13(20)19-8-5-6-15-7-9-19/h10,15H,5-9H2,1-4H3,(H,16,20)
InChIKeyAJXSZUOKDRAIEB-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.54
Rot. Bonds1

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide (PubChem CID 59535464) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide
PubChem CID59535464
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)N1CCCNCC1
InChIInChI=1S/C14H25N5O/c1-14(2,3)11-10-12(18(4)17-11)16-13(20)19-8-5-6-15-7-9-19/h10,15H,5-9H2,1-4H3,(H,16,20)
InChIKeyAJXSZUOKDRAIEB-UHFFFAOYSA-N
XLogP1.54
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 2811754
N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-4-(tetrahydro-2H-pyran-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 54582482
3-(1,1-Dimethylethyl)-1-ethyl-1H-pyrazol-5-amine
CID 61265722
7-(tert-butyl)pyrazolo(1,5-a)(1,3,5)triazin-4(3H)-one
CID 135741970
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45795795
N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)acetamide
CID 6489269
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 45821171
1-(2,5-Dimethylpyrazol-3-yl)-3-[(1-ethylpiperidin-3-yl)methyl]urea
CID 47086100
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 47215253
N-(5-ethyl-2-methylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 72011791
N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72837841
1-[2-(Dimethylamino)ethyl]-3-[1,3-di(propan-2-yl)pyrazol-5-yl]urea
CID 75500177

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide (CID 59535464) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide is Cn1nc(C(C)(C)C)cc1NC(=O)N1CCCNCC1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is AJXSZUOKDRAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)11-10-12(18(4)17-11)16-13(20)19-8-5-6-15-7-9-19/h10,15H,5-9H2,1-4H3,(H,16,20).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 59535464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).