1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile

C14H16ClN7 — CID 121392519

IUPAC1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile
SMILESCN(c1c(C#N)cnn1-c1nn2c(c1Cl)CNCC2)C1CC1
InChIInChI=1S/C14H16ClN7/c1-20(10-2-3-10)14-9(6-16)7-18-22(14)13-12(15)11-8-17-4-5-21(11)19-13/h7,10,17H,2-5,8H2,1H3
InChIKeyVSQNIZRHTRPPQS-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.30
Rot. Bonds3

About 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile

1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile (PubChem CID 121392519) has the molecular formula C14H16ClN7 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile
PubChem CID121392519
Molecular FormulaC14H16ClN7
Molecular Weight317.78 g/mol
Exact Mass317.12
IUPAC Name1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile
SMILESCN(c1c(C#N)cnn1-c1nn2c(c1Cl)CNCC2)C1CC1
InChIInChI=1S/C14H16ClN7/c1-20(10-2-3-10)14-9(6-16)7-18-22(14)13-12(15)11-8-17-4-5-21(11)19-13/h7,10,17H,2-5,8H2,1H3
InChIKeyVSQNIZRHTRPPQS-UHFFFAOYSA-N
XLogP1.30
TPSA74.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile (CID 121392519) is 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile is CN(c1c(C#N)cnn1-c1nn2c(c1Cl)CNCC2)C1CC1.
What is the InChIKey of 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile?
The InChIKey is VSQNIZRHTRPPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN7/c1-20(10-2-3-10)14-9(6-16)7-18-22(14)13-12(15)11-8-17-4-5-21(11)19-13/h7,10,17H,2-5,8H2,1H3.
What are the key properties of 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile?
1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile has a molecular weight of 317.78 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-5-[cyclopropyl(methyl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 121392519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).