5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C10H10ClN5 — CID 24971312

IUPAC5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)Nc1cc(Cl)nc2c(C#N)cnn12
InChIInChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3
InChIKeyHFTLYNKTSANXFA-UHFFFAOYSA-N
MW235.68 g/mol
LogP2.07
Rot. Bonds2

About 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 24971312) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID24971312
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)Nc1cc(Cl)nc2c(C#N)cnn12
InChIInChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3
InChIKeyHFTLYNKTSANXFA-UHFFFAOYSA-N
XLogP2.07
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 24971313
7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 2807616
7-(Cyclopropylamino)pyrazolo[1,5-A]pyrimidine-3-carbonitrile
CID 137653457
[4-[[3-Cyano-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]azanium
CID 72199395
5-Chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine
CID 23539610
5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 45480447
5,7-Dichloro-3-methylpyrazolo[1,5-a]pyrimidine
CID 49761309
7-Chloropyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 49761484
5-Chloropyrazolo(1,5-a)pyrimidin-2-amine
CID 84653263
5-Chloro-3-methylpyrazolo(1,5-a)pyrimidine
CID 121403620
5-Chloro-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366058
5-Chloro-6-methyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366059

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 24971312) is 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)Nc1cc(Cl)nc2c(C#N)cnn12.
What is the InChIKey of 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HFTLYNKTSANXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3.
What are the key properties of 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 235.68 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 24971312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).