(2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine

C10H9Cl2N3 — CID 82236059

IUPAC(2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine
SMILESNC(c1ccn[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-6-1-2-7(8(12)5-6)10(13)9-3-4-14-15-9/h1-5,10H,13H2,(H,14,15)
InChIKeyYIHXDZYFUVNOPS-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.76
Rot. Bonds2

About (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine

(2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine (PubChem CID 82236059) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine
PubChem CID82236059
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name(2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine
SMILESNC(c1ccn[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-6-1-2-7(8(12)5-6)10(13)9-3-4-14-15-9/h1-5,10H,13H2,(H,14,15)
InChIKeyYIHXDZYFUVNOPS-UHFFFAOYSA-N
XLogP2.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881392
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114198042
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111114881
(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine
CID 82237909
(2,4-dichlorophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124207
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine (CID 82236059) is (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine is NC(c1ccn[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine?
The InChIKey is YIHXDZYFUVNOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-6-1-2-7(8(12)5-6)10(13)9-3-4-14-15-9/h1-5,10H,13H2,(H,14,15).
What are the key properties of (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine?
(2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine has a molecular weight of 242.11 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 82236059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).