N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine

C15H23N5 — CID 86788372

IUPACN-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCn1cc(CNCc2ccn[nH]2)c(C2CCCCC2)n1
InChIInChI=1S/C15H23N5/c1-20-11-13(9-16-10-14-7-8-17-18-14)15(19-20)12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyQJEVKSWXTFCEFY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds5

About N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine

N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 86788372) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID86788372
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCn1cc(CNCc2ccn[nH]2)c(C2CCCCC2)n1
InChIInChI=1S/C15H23N5/c1-20-11-13(9-16-10-14-7-8-17-18-14)15(19-20)12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyQJEVKSWXTFCEFY-UHFFFAOYSA-N
XLogP2.48
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 86788372) is N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is Cn1cc(CNCc2ccn[nH]2)c(C2CCCCC2)n1.
What is the InChIKey of N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is QJEVKSWXTFCEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-20-11-13(9-16-10-14-7-8-17-18-14)15(19-20)12-5-3-2-4-6-12/h7-8,11-12,16H,2-6,9-10H2,1H3,(H,17,18).
What are the key properties of N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 86788372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).