3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride

C18H28Cl2N4O — CID 120504201

IUPAC3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)C(C)C(C)N)cc2)n1.Cl.Cl
InChIInChI=1S/C18H26N4O.2ClH/c1-11-10-12(2)22(21-11)17-8-6-16(7-9-17)15(5)20-18(23)13(3)14(4)19;;/h6-10,13-15H,19H2,1-5H3,(H,20,23);2*1H
InChIKeySOXJAJGRALJTEY-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.49
Rot. Bonds5

About 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120504201) has the molecular formula C18H28Cl2N4O and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
PubChem CID120504201
Molecular FormulaC18H28Cl2N4O
Molecular Weight387.36 g/mol
Exact Mass386.16
IUPAC Name3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)C(C)C(C)N)cc2)n1.Cl.Cl
InChIInChI=1S/C18H26N4O.2ClH/c1-11-10-12(2)22(21-11)17-8-6-16(7-9-17)15(5)20-18(23)13(3)14(4)19;;/h6-10,13-15H,19H2,1-5H3,(H,20,23);2*1H
InChIKeySOXJAJGRALJTEY-UHFFFAOYSA-N
XLogP3.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
CID 95971898
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
CID 96570122
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
CID 119894668
1-[[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124591003
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanamide
CID 75430701
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylacetamide
CID 97031370
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894609
(2R,3S)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942394
3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride (CID 120504201) is 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride is Cc1cc(C)n(-c2ccc(C(C)NC(=O)C(C)C(C)N)cc2)n1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is SOXJAJGRALJTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O.2ClH/c1-11-10-12(2)22(21-11)17-8-6-16(7-9-17)15(5)20-18(23)13(3)14(4)19;;/h6-10,13-15H,19H2,1-5H3,(H,20,23);2*1H.
What are the key properties of 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 387.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120504201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).