3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide

C17H24N4O — CID 119293994

IUPAC3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCN)cc1
InChIInChI=1S/C17H24N4O/c1-12-5-7-13(8-6-12)21-15(19-16(22)9-10-18)11-14(20-21)17(2,3)4/h5-8,11H,9-10,18H2,1-4H3,(H,19,22)
InChIKeyDWIGAAHYHQWWNG-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide

3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide (PubChem CID 119293994) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
PubChem CID119293994
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCN)cc1
InChIInChI=1S/C17H24N4O/c1-12-5-7-13(8-6-12)21-15(19-16(22)9-10-18)11-14(20-21)17(2,3)4/h5-8,11H,9-10,18H2,1-4H3,(H,19,22)
InChIKeyDWIGAAHYHQWWNG-UHFFFAOYSA-N
XLogP2.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 67091317
5-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-5-oxopentanoic acid
CID 5227802
(3R)-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3,5,5-trimethylhexanamide
CID 7499427
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663
4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride
CID 119294975
(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 67091124
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide
CID 42734726
N-benzyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42734696
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
CID 46114373
N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-phenylacetamide
CID 46087859

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide?
The IUPAC name of 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide (CID 119293994) is 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide?
The canonical SMILES for 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCN)cc1.
What is the InChIKey of 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide?
The InChIKey is DWIGAAHYHQWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-5-7-13(8-6-12)21-15(19-16(22)9-10-18)11-14(20-21)17(2,3)4/h5-8,11H,9-10,18H2,1-4H3,(H,19,22).
What are the key properties of 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide?
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide has a molecular weight of 300.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 119293994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).