4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

C13H14ClN7 — CID 164623748

IUPAC4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cn2cccn2)c(-c2cc(Cl)nc(N)n2)nn1C
InChIInChI=1S/C13H14ClN7/c1-8-9(7-21-5-3-4-16-21)12(19-20(8)2)10-6-11(14)18-13(15)17-10/h3-6H,7H2,1-2H3,(H2,15,17,18)
InChIKeyQFOZSZKFURFRGS-UHFFFAOYSA-N
MW303.76 g/mol
LogP1.67
Rot. Bonds3

About 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164623748) has the molecular formula C13H14ClN7 and a molecular weight of 303.76 g/mol. Its IUPAC name is 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID164623748
Molecular FormulaC13H14ClN7
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cn2cccn2)c(-c2cc(Cl)nc(N)n2)nn1C
InChIInChI=1S/C13H14ClN7/c1-8-9(7-21-5-3-4-16-21)12(19-20(8)2)10-6-11(14)18-13(15)17-10/h3-6H,7H2,1-2H3,(H2,15,17,18)
InChIKeyQFOZSZKFURFRGS-UHFFFAOYSA-N
XLogP1.67
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (CID 164623748) is 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is Cc1c(Cn2cccn2)c(-c2cc(Cl)nc(N)n2)nn1C.
What is the InChIKey of 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is QFOZSZKFURFRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7/c1-8-9(7-21-5-3-4-16-21)12(19-20(8)2)10-6-11(14)18-13(15)17-10/h3-6H,7H2,1-2H3,(H2,15,17,18).
What are the key properties of 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 303.76 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164623748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).