1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C17H24N4O — CID 52868619

IUPAC1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cc(CNCC2(O)CCCCC2)c(-c2cccnc2)n1
InChIInChI=1S/C17H24N4O/c1-21-12-15(16(20-21)14-6-5-9-18-10-14)11-19-13-17(22)7-3-2-4-8-17/h5-6,9-10,12,19,22H,2-4,7-8,11,13H2,1H3
InChIKeyDSLVJAZKZNUABK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.27
Rot. Bonds5

About 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 52868619) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID52868619
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cc(CNCC2(O)CCCCC2)c(-c2cccnc2)n1
InChIInChI=1S/C17H24N4O/c1-21-12-15(16(20-21)14-6-5-9-18-10-14)11-19-13-17(22)7-3-2-4-8-17/h5-6,9-10,12,19,22H,2-4,7-8,11,13H2,1H3
InChIKeyDSLVJAZKZNUABK-UHFFFAOYSA-N
XLogP2.27
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 52868619) is 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is Cn1cc(CNCC2(O)CCCCC2)c(-c2cccnc2)n1.
What is the InChIKey of 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is DSLVJAZKZNUABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-21-12-15(16(20-21)14-6-5-9-18-10-14)11-19-13-17(22)7-3-2-4-8-17/h5-6,9-10,12,19,22H,2-4,7-8,11,13H2,1H3.
What are the key properties of 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 300.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 52868619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).