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

C8H9Cl2N5 — CID 165479577

IUPAC4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCn1nc(Cn2cc(Cl)c(N)n2)cc1Cl
InChIInChI=1S/C8H9Cl2N5/c1-14-7(10)2-5(12-14)3-15-4-6(9)8(11)13-15/h2,4H,3H2,1H3,(H2,11,13)
InChIKeyZKBUCSRTNSPYCM-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.55
Rot. Bonds2

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

4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 165479577) has the molecular formula C8H9Cl2N5 and a molecular weight of 246.10 g/mol. Its IUPAC name is 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID165479577
Molecular FormulaC8H9Cl2N5
Molecular Weight246.10 g/mol
Exact Mass245.02
IUPAC Name4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCn1nc(Cn2cc(Cl)c(N)n2)cc1Cl
InChIInChI=1S/C8H9Cl2N5/c1-14-7(10)2-5(12-14)3-15-4-6(9)8(11)13-15/h2,4H,3H2,1H3,(H2,11,13)
InChIKeyZKBUCSRTNSPYCM-UHFFFAOYSA-N
XLogP1.55
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 165479577) is 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine is Cn1nc(Cn2cc(Cl)c(N)n2)cc1Cl.
What is the InChIKey of 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is ZKBUCSRTNSPYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N5/c1-14-7(10)2-5(12-14)3-15-4-6(9)8(11)13-15/h2,4H,3H2,1H3,(H2,11,13).
What are the key properties of 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 246.10 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 165479577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).