1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine

C17H25N3 — CID 104955918

IUPAC1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H25N3/c1-12(2)10-15-6-8-16(9-7-15)13(3)18-17-11-20(5)19-14(17)4/h6-9,11-13,18H,10H2,1-5H3
InChIKeyBGKMQMJBRAYWFR-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.10
Rot. Bonds5

About 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine

1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine (PubChem CID 104955918) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
PubChem CID104955918
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H25N3/c1-12(2)10-15-6-8-16(9-7-15)13(3)18-17-11-20(5)19-14(17)4/h6-9,11-13,18H,10H2,1-5H3
InChIKeyBGKMQMJBRAYWFR-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489
1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
CID 104954455
1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine
CID 104955808
4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
CID 102804155
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43124751
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22208862
3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43100358
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine (CID 104955918) is 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine is Cc1nn(C)cc1NC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine?
The InChIKey is BGKMQMJBRAYWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)10-15-6-8-16(9-7-15)13(3)18-17-11-20(5)19-14(17)4/h6-9,11-13,18H,10H2,1-5H3.
What are the key properties of 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine?
1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine is sourced from PubChem (CID 104955918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).