5-chloro-N-methyl-2-pyrazol-1-ylaniline

C10H10ClN3 — CID 63091611

IUPAC5-chloro-N-methyl-2-pyrazol-1-ylaniline
SMILESCNc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C10H10ClN3/c1-12-9-7-8(11)3-4-10(9)14-6-2-5-13-14/h2-7,12H,1H3
InChIKeyGOQKDYUTPVMAIW-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.57
Rot. Bonds2

About 5-chloro-N-methyl-2-pyrazol-1-ylaniline

5-chloro-N-methyl-2-pyrazol-1-ylaniline (PubChem CID 63091611) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name5-chloro-N-methyl-2-pyrazol-1-ylaniline
PubChem CID63091611
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name5-chloro-N-methyl-2-pyrazol-1-ylaniline
SMILESCNc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C10H10ClN3/c1-12-9-7-8(11)3-4-10(9)14-6-2-5-13-14/h2-7,12H,1H3
InChIKeyGOQKDYUTPVMAIW-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-pyrazol-1-ylaniline?
The IUPAC name of 5-chloro-N-methyl-2-pyrazol-1-ylaniline (CID 63091611) is 5-chloro-N-methyl-2-pyrazol-1-ylaniline.
What is the SMILES notation for 5-chloro-N-methyl-2-pyrazol-1-ylaniline?
The canonical SMILES for 5-chloro-N-methyl-2-pyrazol-1-ylaniline is CNc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 5-chloro-N-methyl-2-pyrazol-1-ylaniline?
The InChIKey is GOQKDYUTPVMAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-12-9-7-8(11)3-4-10(9)14-6-2-5-13-14/h2-7,12H,1H3.
What are the key properties of 5-chloro-N-methyl-2-pyrazol-1-ylaniline?
5-chloro-N-methyl-2-pyrazol-1-ylaniline has a molecular weight of 207.66 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-pyrazol-1-ylaniline is sourced from PubChem (CID 63091611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).