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

C16H28N4O — CID 120961953

IUPAC4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESCn1cc(CNCC2CNCC2O)c(C2CCCCC2)n1
InChIInChI=1S/C16H28N4O/c1-20-11-14(9-17-7-13-8-18-10-15(13)21)16(19-20)12-5-3-2-4-6-12/h11-13,15,17-18,21H,2-10H2,1H3
InChIKeyYJDMZFDFHGBPGT-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.14
Rot. Bonds5

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

4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120961953) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120961953
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESCn1cc(CNCC2CNCC2O)c(C2CCCCC2)n1
InChIInChI=1S/C16H28N4O/c1-20-11-14(9-17-7-13-8-18-10-15(13)21)16(19-20)12-5-3-2-4-6-12/h11-13,15,17-18,21H,2-10H2,1H3
InChIKeyYJDMZFDFHGBPGT-UHFFFAOYSA-N
XLogP1.14
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 167980698
N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 86788372
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 83826856
methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 75503439
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 112549594
4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962385
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909798
4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962374
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416867
3-cyclopropyl-4-ethyl-1-methylpyrazole
CID 126759747

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol (CID 120961953) is 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol is Cn1cc(CNCC2CNCC2O)c(C2CCCCC2)n1.
What is the InChIKey of 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is YJDMZFDFHGBPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-20-11-14(9-17-7-13-8-18-10-15(13)21)16(19-20)12-5-3-2-4-6-12/h11-13,15,17-18,21H,2-10H2,1H3.
What are the key properties of 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 292.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120961953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).