4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride

C17H24Cl2N4O — CID 119294975

IUPAC4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)CCCN)n(-c2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C17H23ClN4O.ClH/c1-17(2,3)14-11-15(20-16(23)8-5-9-19)22(21-14)13-7-4-6-12(18)10-13;/h4,6-7,10-11H,5,8-9,19H2,1-3H3,(H,20,23);1H
InChIKeyZVTLLJLYQIHESF-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.92
Rot. Bonds5

About 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride

4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride (PubChem CID 119294975) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride
PubChem CID119294975
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC Name4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)CCCN)n(-c2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C17H23ClN4O.ClH/c1-17(2,3)14-11-15(20-16(23)8-5-9-19)22(21-14)13-7-4-6-12(18)10-13;/h4,6-7,10-11H,5,8-9,19H2,1-3H3,(H,20,23);1H
InChIKeyZVTLLJLYQIHESF-UHFFFAOYSA-N
XLogP3.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 119733627
5-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-5-oxopentanoic acid
CID 5227802
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
(E)-N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 2473791
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 5125643
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3-chlorophenyl)carbamoyl-ethylamino]acetamide
CID 1052579
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-4-oxo-4-piperidin-1-ylbutanamide
CID 4613049
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 55647721
N-[3-tert-butyl-1-(2,5-dichlorophenyl)pyrazol-5-yl]propanamide
CID 46087757
1-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-N-chloromethanamine
CID 89036752

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride (CID 119294975) is 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride is CC(C)(C)c1cc(NC(=O)CCCN)n(-c2cccc(Cl)c2)n1.Cl.
What is the InChIKey of 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride?
The InChIKey is ZVTLLJLYQIHESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O.ClH/c1-17(2,3)14-11-15(20-16(23)8-5-9-19)22(21-14)13-7-4-6-12(18)10-13;/h4,6-7,10-11H,5,8-9,19H2,1-3H3,(H,20,23);1H.
What are the key properties of 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride?
4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride has a molecular weight of 371.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride is sourced from PubChem (CID 119294975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).