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

C10H10N4 — CID 84660602

IUPAC7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1ccnc2c(C#N)cnn12
InChIInChI=1S/C10H10N4/c1-7(2)9-3-4-12-10-8(5-11)6-13-14(9)10/h3-4,6-7H,1-2H3
InChIKeyWPGLSNIDHMTJCO-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.72
Rot. Bonds1

About 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 84660602) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID84660602
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1ccnc2c(C#N)cnn12
InChIInChI=1S/C10H10N4/c1-7(2)9-3-4-12-10-8(5-11)6-13-14(9)10/h3-4,6-7H,1-2H3
InChIKeyWPGLSNIDHMTJCO-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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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 84660602) is 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1ccnc2c(C#N)cnn12.
What is the InChIKey of 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is WPGLSNIDHMTJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-7(2)9-3-4-12-10-8(5-11)6-13-14(9)10/h3-4,6-7H,1-2H3.
What are the key properties of 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-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 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 84660602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).