3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine

C16H22N4 — CID 43775484

IUPAC3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2cn[nH]c2-c2cccnc2)C1
InChIInChI=1S/C16H22N4/c1-12-4-2-6-15(8-12)18-10-14-11-19-20-16(14)13-5-3-7-17-9-13/h3,5,7,9,11-12,15,18H,2,4,6,8,10H2,1H3,(H,19,20)
InChIKeyCDTYNYYTFGSJII-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds4

About 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine

3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 43775484) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID43775484
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCC(NCc2cn[nH]c2-c2cccnc2)C1
InChIInChI=1S/C16H22N4/c1-12-4-2-6-15(8-12)18-10-14-11-19-20-16(14)13-5-3-7-17-9-13/h3,5,7,9,11-12,15,18H,2,4,6,8,10H2,1H3,(H,19,20)
InChIKeyCDTYNYYTFGSJII-UHFFFAOYSA-N
XLogP3.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine (CID 43775484) is 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine is CC1CCCC(NCc2cn[nH]c2-c2cccnc2)C1.
What is the InChIKey of 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is CDTYNYYTFGSJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-4-2-6-15(8-12)18-10-14-11-19-20-16(14)13-5-3-7-17-9-13/h3,5,7,9,11-12,15,18H,2,4,6,8,10H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine?
3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43775484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).