6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile

C14H16N6O — CID 168959394

IUPAC6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CCC(C(=O)N3CCC=N3)CC2)ncn1
InChIInChI=1S/C14H16N6O/c15-9-12-8-13(17-10-16-12)19-6-2-11(3-7-19)14(21)20-5-1-4-18-20/h4,8,10-11H,1-3,5-7H2
InChIKeyVGZUQNDMBDTONT-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.78
Rot. Bonds2

About 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile

6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 168959394) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID168959394
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CCC(C(=O)N3CCC=N3)CC2)ncn1
InChIInChI=1S/C14H16N6O/c15-9-12-8-13(17-10-16-12)19-6-2-11(3-7-19)14(21)20-5-1-4-18-20/h4,8,10-11H,1-3,5-7H2
InChIKeyVGZUQNDMBDTONT-UHFFFAOYSA-N
XLogP0.78
TPSA85.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137333282
tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 162376246
1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
CID 127019238
6-[4-[(3S)-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 146251413
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969
6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-4-carbonitrile
CID 130173880
6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 70915631
1-[6-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 169227295
6-[7-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-4-azaspiro[2.5]octan-4-yl]pyrimidine-4-carbonitrile
CID 155273143
6-[4-[3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 146237528
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
6-[(7R)-7-[(3R)-3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-4-azaspiro[2.5]octan-4-yl]pyrimidine-4-carbonitrile
CID 155277257

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile (CID 168959394) is 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile is N#Cc1cc(N2CCC(C(=O)N3CCC=N3)CC2)ncn1.
What is the InChIKey of 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is VGZUQNDMBDTONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c15-9-12-8-13(17-10-16-12)19-6-2-11(3-7-19)14(21)20-5-1-4-18-20/h4,8,10-11H,1-3,5-7H2.
What are the key properties of 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile?
6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 168959394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).