4-chloro-N,1,3-trimethylpyrazol-5-amine

C6H10ClN3 — CID 54006212

IUPAC4-chloro-N,1,3-trimethylpyrazol-5-amine
SMILESCNc1c(Cl)c(C)nn1C
InChIInChI=1S/C6H10ClN3/c1-4-5(7)6(8-2)10(3)9-4/h8H,1-3H3
InChIKeyKPBCYEGTMLRGQS-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.42
Rot. Bonds1

About 4-chloro-N,1,3-trimethylpyrazol-5-amine

4-chloro-N,1,3-trimethylpyrazol-5-amine (PubChem CID 54006212) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 4-chloro-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-N,1,3-trimethylpyrazol-5-amine
PubChem CID54006212
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name4-chloro-N,1,3-trimethylpyrazol-5-amine
SMILESCNc1c(Cl)c(C)nn1C
InChIInChI=1S/C6H10ClN3/c1-4-5(7)6(8-2)10(3)9-4/h8H,1-3H3
InChIKeyKPBCYEGTMLRGQS-UHFFFAOYSA-N
XLogP1.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-chloro-N,1,3-trimethylpyrazol-5-amine (CID 54006212) is 4-chloro-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-chloro-N,1,3-trimethylpyrazol-5-amine is CNc1c(Cl)c(C)nn1C.
What is the InChIKey of 4-chloro-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is KPBCYEGTMLRGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-4-5(7)6(8-2)10(3)9-4/h8H,1-3H3.
What are the key properties of 4-chloro-N,1,3-trimethylpyrazol-5-amine?
4-chloro-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 159.62 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 54006212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).