3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine

C14H14F2N6 — CID 134594284

IUPAC3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESFC1(F)CCCN(c2[nH]ncc2-c2cnn3cccnc23)C1
InChIInChI=1S/C14H14F2N6/c15-14(16)3-1-5-21(9-14)13-10(7-18-20-13)11-8-19-22-6-2-4-17-12(11)22/h2,4,6-8H,1,3,5,9H2,(H,18,20)
InChIKeyUQSYEJJGNYXCDA-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.35
Rot. Bonds2

About 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine

3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 134594284) has the molecular formula C14H14F2N6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID134594284
Molecular FormulaC14H14F2N6
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESFC1(F)CCCN(c2[nH]ncc2-c2cnn3cccnc23)C1
InChIInChI=1S/C14H14F2N6/c15-14(16)3-1-5-21(9-14)13-10(7-18-20-13)11-8-19-22-6-2-4-17-12(11)22/h2,4,6-8H,1,3,5,9H2,(H,18,20)
InChIKeyUQSYEJJGNYXCDA-UHFFFAOYSA-N
XLogP2.35
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Dimethyl-N'-[3-(1h-Pyrazol-4-Yl)pyrazolo[1,5-A]pyrimidin-5-Yl]ethane-1,2-Diamine
CID 73354147
4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
CID 73346434
N-[(3S)-piperidin-1-ium-3-yl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 136446102
7-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 163350385
6-[4-(1H-pyrazol-3-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67339120
6-[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67339399
N-[(Z)-2-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
CID 139359900
2-tert-butyl-7-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]pyrrolo[2,3-d]pyrimidine
CID 141417413
5-(4,4-difluoropiperidin-1-yl)-6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 169905513
N-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 177821835
N',N'-dimethyl-N-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-5-yl]ethane-1,2-diamine
CID 71710920
N-[(3S)-piperidin-3-yl]-3,8,12-triaza-1-azoniatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 72200994

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine (CID 134594284) is 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine is FC1(F)CCCN(c2[nH]ncc2-c2cnn3cccnc23)C1.
What is the InChIKey of 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UQSYEJJGNYXCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6/c15-14(16)3-1-5-21(9-14)13-10(7-18-20-13)11-8-19-22-6-2-4-17-12(11)22/h2,4,6-8H,1,3,5,9H2,(H,18,20).
What are the key properties of 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine?
3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 304.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134594284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).