6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol

C10H10ClN3O — CID 136968444

IUPAC6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol
SMILESCc1ccc(-c2cc(N)n[nH]2)c(O)c1Cl
InChIInChI=1S/C10H10ClN3O/c1-5-2-3-6(10(15)9(5)11)7-4-8(12)14-13-7/h2-4,15H,1H3,(H3,12,13,14)
InChIKeyMSMMECZGRADQFT-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.33
Rot. Bonds1

About 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol

6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol (PubChem CID 136968444) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol.

Molecular Properties

Compound Name6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol
PubChem CID136968444
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol
SMILESCc1ccc(-c2cc(N)n[nH]2)c(O)c1Cl
InChIInChI=1S/C10H10ClN3O/c1-5-2-3-6(10(15)9(5)11)7-4-8(12)14-13-7/h2-4,15H,1H3,(H3,12,13,14)
InChIKeyMSMMECZGRADQFT-UHFFFAOYSA-N
XLogP2.33
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol?
The IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol (CID 136968444) is 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol.
What is the SMILES notation for 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol?
The canonical SMILES for 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol is Cc1ccc(-c2cc(N)n[nH]2)c(O)c1Cl.
What is the InChIKey of 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol?
The InChIKey is MSMMECZGRADQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-5-2-3-6(10(15)9(5)11)7-4-8(12)14-13-7/h2-4,15H,1H3,(H3,12,13,14).
What are the key properties of 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol?
6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol has a molecular weight of 223.66 g/mol, XLogP of 2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-pyrazol-5-yl)-2-chloro-3-methylphenol is sourced from PubChem (CID 136968444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).