4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide

C18H26N4O — CID 120565817

IUPAC4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)CCC(C)N)cc2)n1
InChIInChI=1S/C18H26N4O/c1-12(19)5-10-18(23)20-15(4)16-6-8-17(9-7-16)22-14(3)11-13(2)21-22/h6-9,11-12,15H,5,10,19H2,1-4H3,(H,20,23)
InChIKeyPWBYUVBJAWECDU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.79
Rot. Bonds6

About 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide

4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide (PubChem CID 120565817) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
PubChem CID120565817
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)CCC(C)N)cc2)n1
InChIInChI=1S/C18H26N4O/c1-12(19)5-10-18(23)20-15(4)16-6-8-17(9-7-16)22-14(3)11-13(2)21-22/h6-9,11-12,15H,5,10,19H2,1-4H3,(H,20,23)
InChIKeyPWBYUVBJAWECDU-UHFFFAOYSA-N
XLogP2.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
CID 119894668
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504201
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylacetamide
CID 97031370
(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
CID 95971898
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 71873153
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
CID 120562455
1-[[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124591003
(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
CID 96570122
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 71873152

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide?
The IUPAC name of 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide (CID 120565817) is 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide is Cc1cc(C)n(-c2ccc(C(C)NC(=O)CCC(C)N)cc2)n1.
What is the InChIKey of 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide?
The InChIKey is PWBYUVBJAWECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12(19)5-10-18(23)20-15(4)16-6-8-17(9-7-16)22-14(3)11-13(2)21-22/h6-9,11-12,15H,5,10,19H2,1-4H3,(H,20,23).
What are the key properties of 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide?
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide has a molecular weight of 314.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide is sourced from PubChem (CID 120565817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).