3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol

C16H28N4O — CID 70731170

IUPAC3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
SMILESCn1cc(CN(CC2(O)CCNC2)C2CCCCC2)cn1
InChIInChI=1S/C16H28N4O/c1-19-10-14(9-18-19)11-20(15-5-3-2-4-6-15)13-16(21)7-8-17-12-16/h9-10,15,17,21H,2-8,11-13H2,1H3
InChIKeyFOUMXYLKWRTPNL-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.28
Rot. Bonds5

About 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol

3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol (PubChem CID 70731170) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
PubChem CID70731170
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
SMILESCn1cc(CN(CC2(O)CCNC2)C2CCCCC2)cn1
InChIInChI=1S/C16H28N4O/c1-19-10-14(9-18-19)11-20(15-5-3-2-4-6-15)13-16(21)7-8-17-12-16/h9-10,15,17,21H,2-8,11-13H2,1H3
InChIKeyFOUMXYLKWRTPNL-UHFFFAOYSA-N
XLogP1.28
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol (CID 70731170) is 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol is Cn1cc(CN(CC2(O)CCNC2)C2CCCCC2)cn1.
What is the InChIKey of 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol?
The InChIKey is FOUMXYLKWRTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19-10-14(9-18-19)11-20(15-5-3-2-4-6-15)13-16(21)7-8-17-12-16/h9-10,15,17,21H,2-8,11-13H2,1H3.
What are the key properties of 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol?
3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol has a molecular weight of 292.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70731170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).