4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide

C15H26N4O — CID 112729982

IUPAC4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
SMILESCC(C)(C)n1cc(CNCCCC(=O)NC2CC2)cn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)19-11-12(10-17-19)9-16-8-4-5-14(20)18-13-6-7-13/h10-11,13,16H,4-9H2,1-3H3,(H,18,20)
InChIKeyIFKXDCAYOSADQR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.79
Rot. Bonds7

About 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide

4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide (PubChem CID 112729982) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
PubChem CID112729982
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
SMILESCC(C)(C)n1cc(CNCCCC(=O)NC2CC2)cn1
InChIInChI=1S/C15H26N4O/c1-15(2,3)19-11-12(10-17-19)9-16-8-4-5-14(20)18-13-6-7-13/h10-11,13,16H,4-9H2,1-3H3,(H,18,20)
InChIKeyIFKXDCAYOSADQR-UHFFFAOYSA-N
XLogP1.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide
CID 79393845
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 43765327
N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
CID 78922185
N-[(1-tert-butylpyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923032
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 112728360
N-cyclopropyl-4-[(2-hydroxy-2-methylpropyl)amino]butanamide
CID 79393786
N-cyclopropyl-4-(1H-imidazol-5-ylmethylamino)butanamide
CID 78921180
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384
N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
CID 107685855

Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide (CID 112729982) is 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide is CC(C)(C)n1cc(CNCCCC(=O)NC2CC2)cn1.
What is the InChIKey of 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide?
The InChIKey is IFKXDCAYOSADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)19-11-12(10-17-19)9-16-8-4-5-14(20)18-13-6-7-13/h10-11,13,16H,4-9H2,1-3H3,(H,18,20).
What are the key properties of 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide?
4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 112729982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).