5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile

C15H23N5O — CID 102796086

IUPAC5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCC2CO)nn(C2CCCCC2)c1N
InChIInChI=1S/C15H23N5O/c16-9-13-14(17)20(11-5-2-1-3-6-11)18-15(13)19-8-4-7-12(19)10-21/h11-12,21H,1-8,10,17H2
InChIKeyKVJOQJBUMFGGEL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.80
Rot. Bonds3

About 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile

5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile (PubChem CID 102796086) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile
PubChem CID102796086
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCC2CO)nn(C2CCCCC2)c1N
InChIInChI=1S/C15H23N5O/c16-9-13-14(17)20(11-5-2-1-3-6-11)18-15(13)19-8-4-7-12(19)10-21/h11-12,21H,1-8,10,17H2
InChIKeyKVJOQJBUMFGGEL-UHFFFAOYSA-N
XLogP1.80
TPSA91.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-cyclohexyl-3-morpholin-4-ylpyrazole-4-carbonitrile
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5-amino-1-cycloheptyl-3-(ethylamino)pyrazole-4-carbonitrile
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2-[2-(hydroxymethyl)azepan-1-yl]-4-methylpyridine-3-carbonitrile
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3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
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5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102796047
[1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol
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2-ethylsulfanyl-6-[2-(hydroxymethyl)azepan-1-yl]benzonitrile
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methyl 5-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
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2-amino-5-[2-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 68541631
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
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[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]methanol
CID 23064302

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile (CID 102796086) is 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile is N#Cc1c(N2CCCC2CO)nn(C2CCCCC2)c1N.
What is the InChIKey of 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile?
The InChIKey is KVJOQJBUMFGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c16-9-13-14(17)20(11-5-2-1-3-6-11)18-15(13)19-8-4-7-12(19)10-21/h11-12,21H,1-8,10,17H2.
What are the key properties of 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile?
5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 102796086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).