1-benzyl-N-cycloheptylpyrazol-4-amine

C17H23N3 — CID 60931271

IUPAC1-benzyl-N-cycloheptylpyrazol-4-amine
SMILESc1ccc(Cn2cc(NC3CCCCCC3)cn2)cc1
InChIInChI=1S/C17H23N3/c1-2-7-11-16(10-6-1)19-17-12-18-20(14-17)13-15-8-4-3-5-9-15/h3-5,8-9,12,14,16,19H,1-2,6-7,10-11,13H2
InChIKeyGJQYYNYDDATEFQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.07
Rot. Bonds4

About 1-benzyl-N-cycloheptylpyrazol-4-amine

1-benzyl-N-cycloheptylpyrazol-4-amine (PubChem CID 60931271) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-benzyl-N-cycloheptylpyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-cycloheptylpyrazol-4-amine
PubChem CID60931271
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-benzyl-N-cycloheptylpyrazol-4-amine
SMILESc1ccc(Cn2cc(NC3CCCCCC3)cn2)cc1
InChIInChI=1S/C17H23N3/c1-2-7-11-16(10-6-1)19-17-12-18-20(14-17)13-15-8-4-3-5-9-15/h3-5,8-9,12,14,16,19H,1-2,6-7,10-11,13H2
InChIKeyGJQYYNYDDATEFQ-UHFFFAOYSA-N
XLogP4.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79462283
1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
CID 60931524
1-benzyl-N-(3-ethylcyclopentyl)pyrazol-4-amine
CID 64501748
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283
N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
CID 115777714
1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine
CID 130645912
3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine
CID 143598135
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cycloheptylpyrazol-4-amine?
The IUPAC name of 1-benzyl-N-cycloheptylpyrazol-4-amine (CID 60931271) is 1-benzyl-N-cycloheptylpyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-cycloheptylpyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-cycloheptylpyrazol-4-amine is c1ccc(Cn2cc(NC3CCCCCC3)cn2)cc1.
What is the InChIKey of 1-benzyl-N-cycloheptylpyrazol-4-amine?
The InChIKey is GJQYYNYDDATEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-7-11-16(10-6-1)19-17-12-18-20(14-17)13-15-8-4-3-5-9-15/h3-5,8-9,12,14,16,19H,1-2,6-7,10-11,13H2.
What are the key properties of 1-benzyl-N-cycloheptylpyrazol-4-amine?
1-benzyl-N-cycloheptylpyrazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cycloheptylpyrazol-4-amine is sourced from PubChem (CID 60931271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).