5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine

C10H14ClN5 — CID 62130001

IUPAC5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(-n2nc(C)c(Cl)c2C)c1N
InChIInChI=1S/C10H14ClN5/c1-5-8(11)7(3)16(14-5)10-9(12)6(2)13-15(10)4/h12H2,1-4H3
InChIKeyXXNJOSIGZYHWQV-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.77
Rot. Bonds1

About 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine

5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 62130001) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID62130001
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(-n2nc(C)c(Cl)c2C)c1N
InChIInChI=1S/C10H14ClN5/c1-5-8(11)7(3)16(14-5)10-9(12)6(2)13-15(10)4/h12H2,1-4H3
InChIKeyXXNJOSIGZYHWQV-UHFFFAOYSA-N
XLogP1.77
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine (CID 62130001) is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(-n2nc(C)c(Cl)c2C)c1N.
What is the InChIKey of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is XXNJOSIGZYHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-5-8(11)7(3)16(14-5)10-9(12)6(2)13-15(10)4/h12H2,1-4H3.
What are the key properties of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine?
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 239.71 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 62130001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).