3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

C18H24N6 — CID 146581520

IUPAC3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
SMILESCCc1c(NC)ncnc1-c1cnn(C(CC#N)C2CCCC2)c1
InChIInChI=1S/C18H24N6/c1-3-15-17(21-12-22-18(15)20-2)14-10-23-24(11-14)16(8-9-19)13-6-4-5-7-13/h10-13,16H,3-8H2,1-2H3,(H,20,21,22)
InChIKeyHTRLKZSZXJAPCW-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.59
Rot. Bonds6

About 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile (PubChem CID 146581520) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
PubChem CID146581520
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
SMILESCCc1c(NC)ncnc1-c1cnn(C(CC#N)C2CCCC2)c1
InChIInChI=1S/C18H24N6/c1-3-15-17(21-12-22-18(15)20-2)14-10-23-24(11-14)16(8-9-19)13-6-4-5-7-13/h10-13,16H,3-8H2,1-2H3,(H,20,21,22)
InChIKeyHTRLKZSZXJAPCW-UHFFFAOYSA-N
XLogP3.59
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Casein Kinase inhibitor A86
CID 134812748
Cyclopentyl-[4-(3-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839966
[4-(3-Isopropyl-1H-pyrazol-4-yl)-5-methyl-pyrimidin-2-yl]-(1-methyl-piperidin-4-yl)-amine
CID 49840033
(R)-3-Cyclopentyl-3-(4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
CID 70673384
(3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile
CID 168301725
4-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 46986051
2-[(5-Piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)amino]pyridine-4-carbonitrile
CID 122193943
2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 841803
US10131664, Example 174
CID 118142104
4-Azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
CID 155907509
N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine
CID 46942530
3-[4-[5-Methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 168201072

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile (CID 146581520) is 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile is CCc1c(NC)ncnc1-c1cnn(C(CC#N)C2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The InChIKey is HTRLKZSZXJAPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-3-15-17(21-12-22-18(15)20-2)14-10-23-24(11-14)16(8-9-19)13-6-4-5-7-13/h10-13,16H,3-8H2,1-2H3,(H,20,21,22).
What are the key properties of 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile has a molecular weight of 324.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 146581520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).