1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile

C14H22N4O — CID 77093882

IUPAC1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile
SMILESCc1nn(CCO)c(C)c1CN1CCCC(C#N)C1
InChIInChI=1S/C14H22N4O/c1-11-14(12(2)18(16-11)6-7-19)10-17-5-3-4-13(8-15)9-17/h13,19H,3-7,9-10H2,1-2H3
InChIKeySXMSDJPNRRDUKC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.23
Rot. Bonds4

About 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile

1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile (PubChem CID 77093882) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile
PubChem CID77093882
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile
SMILESCc1nn(CCO)c(C)c1CN1CCCC(C#N)C1
InChIInChI=1S/C14H22N4O/c1-11-14(12(2)18(16-11)6-7-19)10-17-5-3-4-13(8-15)9-17/h13,19H,3-7,9-10H2,1-2H3
InChIKeySXMSDJPNRRDUKC-UHFFFAOYSA-N
XLogP1.23
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56728245
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375
2-{[(e)-(1-Isopropyl-3,5-dimethyl-1h-pyrazol-4-yl)methylidene]amino}ethanol
CID 129750040
2-[4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109929103
2-[3,5-Dimethyl-4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-1-yl]ethanol
CID 109929176
2-[4-[[2,2-Difluoroethyl(methyl)amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109930304
2-[4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109930315
2,2,2-Trifluoro-1-[1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-4-yl]ethanol
CID 109935817
1-[1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935854
2-[4-[[4-(2,2-Difluoroethyl)-3-ethylpiperazin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109935923
2-[3,5-Dimethyl-4-[[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 109936315

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile (CID 77093882) is 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile is Cc1nn(CCO)c(C)c1CN1CCCC(C#N)C1.
What is the InChIKey of 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile?
The InChIKey is SXMSDJPNRRDUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-14(12(2)18(16-11)6-7-19)10-17-5-3-4-13(8-15)9-17/h13,19H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile?
1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 77093882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).