N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine

C13H14ClN3 — CID 62112694

IUPACN-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(-c2cc(CNC3CC3)[nH]n2)c1
InChIInChI=1S/C13H14ClN3/c14-10-3-1-2-9(6-10)13-7-12(16-17-13)8-15-11-4-5-11/h1-3,6-7,11,15H,4-5,8H2,(H,16,17)
InChIKeyYZDPHEZEHVZBEF-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.98
Rot. Bonds4

About N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine

N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62112694) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
PubChem CID62112694
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(-c2cc(CNC3CC3)[nH]n2)c1
InChIInChI=1S/C13H14ClN3/c14-10-3-1-2-9(6-10)13-7-12(16-17-13)8-15-11-4-5-11/h1-3,6-7,11,15H,4-5,8H2,(H,16,17)
InChIKeyYZDPHEZEHVZBEF-UHFFFAOYSA-N
XLogP2.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
CID 62111862
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 55035469
N-[[3-[3-(tetrazol-1-yl)phenyl]-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62113328
5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445384
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
N-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62402346
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603
3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one
CID 82446346
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine (CID 62112694) is N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine is Clc1cccc(-c2cc(CNC3CC3)[nH]n2)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is YZDPHEZEHVZBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-10-3-1-2-9(6-10)13-7-12(16-17-13)8-15-11-4-5-11/h1-3,6-7,11,15H,4-5,8H2,(H,16,17).
What are the key properties of N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine?
N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 247.73 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62112694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).