(2-chloro-6-pyrazol-1-ylphenyl)methanamine

C10H10ClN3 — CID 28965390

IUPAC(2-chloro-6-pyrazol-1-ylphenyl)methanamine
SMILESNCc1c(Cl)cccc1-n1cccn1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-4-10(8(9)7-12)14-6-2-5-13-14/h1-6H,7,12H2
InChIKeyUOONPYCDQHFSPQ-UHFFFAOYSA-N
MW207.66 g/mol
LogP1.98
Rot. Bonds2

About (2-chloro-6-pyrazol-1-ylphenyl)methanamine

(2-chloro-6-pyrazol-1-ylphenyl)methanamine (PubChem CID 28965390) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is (2-chloro-6-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-pyrazol-1-ylphenyl)methanamine
PubChem CID28965390
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name(2-chloro-6-pyrazol-1-ylphenyl)methanamine
SMILESNCc1c(Cl)cccc1-n1cccn1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-4-10(8(9)7-12)14-6-2-5-13-14/h1-6H,7,12H2
InChIKeyUOONPYCDQHFSPQ-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-di(pyrazol-1-yl)pyridine
CID 91358877
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561
2-(2-pyrazol-1-ylphenyl)ethanamine
CID 63816747
2-chloro-3-pyrazol-1-ylbenzamide
CID 57422970
N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704388
(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
CID 96762406
2-fluoro-6-pyrazol-1-ylaniline
CID 50989643
1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine
CID 114066098
3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline
CID 61325153
4-(2-pyrazol-1-ylphenyl)butan-1-amine
CID 117307081
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of (2-chloro-6-pyrazol-1-ylphenyl)methanamine (CID 28965390) is (2-chloro-6-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for (2-chloro-6-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for (2-chloro-6-pyrazol-1-ylphenyl)methanamine is NCc1c(Cl)cccc1-n1cccn1.
What is the InChIKey of (2-chloro-6-pyrazol-1-ylphenyl)methanamine?
The InChIKey is UOONPYCDQHFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-3-1-4-10(8(9)7-12)14-6-2-5-13-14/h1-6H,7,12H2.
What are the key properties of (2-chloro-6-pyrazol-1-ylphenyl)methanamine?
(2-chloro-6-pyrazol-1-ylphenyl)methanamine has a molecular weight of 207.66 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 28965390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).