1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine

C15H20ClN3 — CID 55171264

IUPAC1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine
SMILESCC(C)(C)Cc1cc(N)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C15H20ClN3/c1-15(2,3)9-12-8-14(17)19(18-12)10-11-6-4-5-7-13(11)16/h4-8H,9-10,17H2,1-3H3
InChIKeyPWLHVWXIRLRWEI-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.76
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine

1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine (PubChem CID 55171264) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine
PubChem CID55171264
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine
SMILESCC(C)(C)Cc1cc(N)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C15H20ClN3/c1-15(2,3)9-12-8-14(17)19(18-12)10-11-6-4-5-7-13(11)16/h4-8H,9-10,17H2,1-3H3
InChIKeyPWLHVWXIRLRWEI-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
1-[2-(dimethylamino)ethyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine
CID 62687881
[5-benzyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol
CID 150757764
1-[(2-chlorophenyl)methyl]indazol-3-amine
CID 55104008
1-[(2-bromophenyl)methyl]-3-tert-butylpyrazol-5-amine
CID 63276489
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
CID 16769903
1-[(2-chlorophenyl)methyl]-5-iodobenzimidazol-2-amine
CID 66081183
5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole
CID 66016106
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
CID 62736131

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine (CID 55171264) is 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine is CC(C)(C)Cc1cc(N)n(Cc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine?
The InChIKey is PWLHVWXIRLRWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-15(2,3)9-12-8-14(17)19(18-12)10-11-6-4-5-7-13(11)16/h4-8H,9-10,17H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine?
1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine has a molecular weight of 277.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(2,2-dimethylpropyl)pyrazol-5-amine is sourced from PubChem (CID 55171264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).