1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine

C16H21N3 — CID 130645912

IUPAC1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine
SMILESCC1CC(Nc2cnn(Cc3ccccc3)c2)C1C
InChIInChI=1S/C16H21N3/c1-12-8-16(13(12)2)18-15-9-17-19(11-15)10-14-6-4-3-5-7-14/h3-7,9,11-13,16,18H,8,10H2,1-2H3
InChIKeyYMSRZWQWMMDVSW-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.39
Rot. Bonds4

About 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine

1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine (PubChem CID 130645912) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine
PubChem CID130645912
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine
SMILESCC1CC(Nc2cnn(Cc3ccccc3)c2)C1C
InChIInChI=1S/C16H21N3/c1-12-8-16(13(12)2)18-15-9-17-19(11-15)10-14-6-4-3-5-7-14/h3-7,9,11-13,16,18H,8,10H2,1-2H3
InChIKeyYMSRZWQWMMDVSW-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
CID 60931524
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
1-benzyl-N-(3-ethylcyclopentyl)pyrazol-4-amine
CID 64501748
3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79462283
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine (CID 130645912) is 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine is CC1CC(Nc2cnn(Cc3ccccc3)c2)C1C.
What is the InChIKey of 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine?
The InChIKey is YMSRZWQWMMDVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-8-16(13(12)2)18-15-9-17-19(11-15)10-14-6-4-3-5-7-14/h3-7,9,11-13,16,18H,8,10H2,1-2H3.
What are the key properties of 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine?
1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine is sourced from PubChem (CID 130645912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).