N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide

C13H24N4O — CID 104618617

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H24N4O/c1-9(2)14-7-6-12(18)15-11-8-10(16-17-11)13(3,4)5/h8-9,14H,6-7H2,1-5H3,(H2,15,16,17,18)
InChIKeyHIRDIKCQPQKXHF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.03
Rot. Bonds5

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 104618617) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
PubChem CID104618617
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H24N4O/c1-9(2)14-7-6-12(18)15-11-8-10(16-17-11)13(3,4)5/h8-9,14H,6-7H2,1-5H3,(H2,15,16,17,18)
InChIKeyHIRDIKCQPQKXHF-UHFFFAOYSA-N
XLogP2.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide 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

N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 82110660
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 104620031
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide (CID 104618617) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is HIRDIKCQPQKXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)14-7-6-12(18)15-11-8-10(16-17-11)13(3,4)5/h8-9,14H,6-7H2,1-5H3,(H2,15,16,17,18).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 252.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 104618617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).