N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine

C19H28N4 — CID 66665047

IUPACN-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine
SMILESCNCc1cc(NCc2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C19H28N4/c1-20-14-18-12-19(21-13-16-8-4-2-5-9-16)23(22-18)15-17-10-6-3-7-11-17/h2,4-5,8-9,12,17,20-21H,3,6-7,10-11,13-15H2,1H3
InChIKeyQALGPGQIDLQLPA-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.79
Rot. Bonds7

About N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine

N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine (PubChem CID 66665047) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine
PubChem CID66665047
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine
SMILESCNCc1cc(NCc2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C19H28N4/c1-20-14-18-12-19(21-13-16-8-4-2-5-9-16)23(22-18)15-17-10-6-3-7-11-17/h2,4-5,8-9,12,17,20-21H,3,6-7,10-11,13-15H2,1H3
InChIKeyQALGPGQIDLQLPA-UHFFFAOYSA-N
XLogP3.79
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine?
The IUPAC name of N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine (CID 66665047) is N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine is CNCc1cc(NCc2ccccc2)n(CC2CCCCC2)n1.
What is the InChIKey of N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine?
The InChIKey is QALGPGQIDLQLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-20-14-18-12-19(21-13-16-8-4-2-5-9-16)23(22-18)15-17-10-6-3-7-11-17/h2,4-5,8-9,12,17,20-21H,3,6-7,10-11,13-15H2,1H3.
What are the key properties of N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine?
N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine has a molecular weight of 312.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 66665047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).