2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol

C16H22N4O — CID 111469301

IUPAC2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCn1cc(CNCC2CCCC2O)c(-c2cccnc2)n1
InChIInChI=1S/C16H22N4O/c1-20-11-14(10-18-8-12-4-2-6-15(12)21)16(19-20)13-5-3-7-17-9-13/h3,5,7,9,11-12,15,18,21H,2,4,6,8,10H2,1H3
InChIKeyOYMYWJUHAZKYTA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.73
Rot. Bonds5

About 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol

2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 111469301) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID111469301
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCn1cc(CNCC2CCCC2O)c(-c2cccnc2)n1
InChIInChI=1S/C16H22N4O/c1-20-11-14(10-18-8-12-4-2-6-15(12)21)16(19-20)13-5-3-7-17-9-13/h3,5,7,9,11-12,15,18,21H,2,4,6,8,10H2,1H3
InChIKeyOYMYWJUHAZKYTA-UHFFFAOYSA-N
XLogP1.73
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol (CID 111469301) is 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is Cn1cc(CNCC2CCCC2O)c(-c2cccnc2)n1.
What is the InChIKey of 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is OYMYWJUHAZKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20-11-14(10-18-8-12-4-2-6-15(12)21)16(19-20)13-5-3-7-17-9-13/h3,5,7,9,11-12,15,18,21H,2,4,6,8,10H2,1H3.
What are the key properties of 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol?
2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 111469301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).