2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C10H10N4 — CID 57401565

IUPAC2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1nn2cccnc2c1C#N
InChIInChI=1S/C10H10N4/c1-7(2)9-8(6-11)10-12-4-3-5-14(10)13-9/h3-5,7H,1-2H3
InChIKeyMKXJQLRWVGOBPL-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.72
Rot. Bonds1

About 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 57401565) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID57401565
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1nn2cccnc2c1C#N
InChIInChI=1S/C10H10N4/c1-7(2)9-8(6-11)10-12-4-3-5-14(10)13-9/h3-5,7H,1-2H3
InChIKeyMKXJQLRWVGOBPL-UHFFFAOYSA-N
XLogP1.72
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
Istisociclib
CID 146502834
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
2-(Cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 900932
5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2736143
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
2,3,6-Trimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201421
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480415
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
2-[1-Cyano-2-(2-pyridinyl)vinyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 6184290
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 57401565) is 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1nn2cccnc2c1C#N.
What is the InChIKey of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is MKXJQLRWVGOBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-7(2)9-8(6-11)10-12-4-3-5-14(10)13-9/h3-5,7H,1-2H3.
What are the key properties of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 57401565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).