N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine

C17H24N4 — CID 64800659

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C17H24N4/c1-2-6-17(7-3-1)21-12-9-16(20-21)14-19-11-8-15-5-4-10-18-13-15/h4-5,9-10,12-13,17,19H,1-3,6-8,11,14H2
InChIKeyVGOXIGGWNZRLMJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.12
Rot. Bonds6

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 64800659) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
PubChem CID64800659
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C17H24N4/c1-2-6-17(7-3-1)21-12-9-16(20-21)14-19-11-8-15-5-4-10-18-13-15/h4-5,9-10,12-13,17,19H,1-3,6-8,11,14H2
InChIKeyVGOXIGGWNZRLMJ-UHFFFAOYSA-N
XLogP3.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 78921214
1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
CID 105107258
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
CID 64783174
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400354
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 64799108
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401286

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine (CID 64800659) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine is c1cncc(CCNCc2ccn(C3CCCCC3)n2)c1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is VGOXIGGWNZRLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-6-17(7-3-1)21-12-9-16(20-21)14-19-11-8-15-5-4-10-18-13-15/h4-5,9-10,12-13,17,19H,1-3,6-8,11,14H2.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 284.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 64800659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).