5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine

C10H10ClN3 — CID 67188640

IUPAC5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1c(Cl)cccc1-c1cc(N)n[nH]1
InChIInChI=1S/C10H10ClN3/c1-6-7(3-2-4-8(6)11)9-5-10(12)14-13-9/h2-5H,1H3,(H3,12,13,14)
InChIKeyQMJMOEKRWUHRLV-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.62
Rot. Bonds1

About 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine

5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 67188640) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID67188640
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1c(Cl)cccc1-c1cc(N)n[nH]1
InChIInChI=1S/C10H10ClN3/c1-6-7(3-2-4-8(6)11)9-5-10(12)14-13-9/h2-5H,1H3,(H3,12,13,14)
InChIKeyQMJMOEKRWUHRLV-UHFFFAOYSA-N
XLogP2.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine (CID 67188640) is 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine is Cc1c(Cl)cccc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is QMJMOEKRWUHRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-6-7(3-2-4-8(6)11)9-5-10(12)14-13-9/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine?
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 207.66 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 67188640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).