1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine

C9H12ClN5 — CID 19618519

IUPAC1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
SMILESCc1nn(Cn2ccc(N)n2)c(C)c1Cl
InChIInChI=1S/C9H12ClN5/c1-6-9(10)7(2)15(12-6)5-14-4-3-8(11)13-14/h3-4H,5H2,1-2H3,(H2,11,13)
InChIKeyQVBQXAPYULZRFG-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.44
Rot. Bonds2

About 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine (PubChem CID 19618519) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
PubChem CID19618519
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
SMILESCc1nn(Cn2ccc(N)n2)c(C)c1Cl
InChIInChI=1S/C9H12ClN5/c1-6-9(10)7(2)15(12-6)5-14-4-3-8(11)13-14/h3-4H,5H2,1-2H3,(H2,11,13)
InChIKeyQVBQXAPYULZRFG-UHFFFAOYSA-N
XLogP1.44
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine (CID 19618519) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine is Cc1nn(Cn2ccc(N)n2)c(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
The InChIKey is QVBQXAPYULZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-6-9(10)7(2)15(12-6)5-14-4-3-8(11)13-14/h3-4H,5H2,1-2H3,(H2,11,13).
What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine?
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine has a molecular weight of 225.68 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).