2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine

C12H14ClN3 — CID 96595056

IUPAC2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1[nH]ncc1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c13-11-4-2-1-3-9(11)7-10-8-15-16-12(10)5-6-14/h1-4,8H,5-7,14H2,(H,15,16)
InChIKeyFVLPGPPIQIFESA-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.16
Rot. Bonds4

About 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine

2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine (PubChem CID 96595056) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine
PubChem CID96595056
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1[nH]ncc1Cc1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c13-11-4-2-1-3-9(11)7-10-8-15-16-12(10)5-6-14/h1-4,8H,5-7,14H2,(H,15,16)
InChIKeyFVLPGPPIQIFESA-UHFFFAOYSA-N
XLogP2.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(furan-2-ylmethyl)-1H-pyrazol-5-yl]ethanamine
CID 96624702
2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine
CID 96618338
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-[4-(1H-indol-5-ylmethyl)-1H-pyrazol-5-yl]ethanamine
CID 82387850
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 10752197
5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
CID 3310784
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine
CID 23005889
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
4-chloro-5-(2-chlorophenyl)-1H-pyrazole
CID 22916491
2-amino-3-[(2-chlorophenyl)methyl]phenol
CID 105493756

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine (CID 96595056) is 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine is NCCc1[nH]ncc1Cc1ccccc1Cl.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine?
The InChIKey is FVLPGPPIQIFESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-11-4-2-1-3-9(11)7-10-8-15-16-12(10)5-6-14/h1-4,8H,5-7,14H2,(H,15,16).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine?
2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 96595056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).