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

C16H23N3 — CID 104954455

IUPAC1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H23N3/c1-12(2)9-14-5-7-15(8-6-14)10-17-16-11-19(4)18-13(16)3/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyVXBIHWKJVDIMTL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.54
Rot. Bonds5

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

1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine (PubChem CID 104954455) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
PubChem CID104954455
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H23N3/c1-12(2)9-14-5-7-15(8-6-14)10-17-16-11-19(4)18-13(16)3/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyVXBIHWKJVDIMTL-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401
N-[(3,4-dibromophenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954421
4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
CID 102804155
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866875
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
CID 114094591
N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168201
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122167731
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 102805025

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine (CID 104954455) is 1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine is Cc1nn(C)cc1NCc1ccc(CC(C)C)cc1.
What is the InChIKey of 1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine?
The InChIKey is VXBIHWKJVDIMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)9-14-5-7-15(8-6-14)10-17-16-11-19(4)18-13(16)3/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine?
1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.54, 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-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 104954455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).