N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C15H21ClN4O — CID 86303062

IUPACN'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN4O/c1-17-6-7-20(2)10-11-9-18-19-15(11)13-8-12(16)4-5-14(13)21-3/h4-5,8-9,17H,6-7,10H2,1-3H3,(H,18,19)
InChIKeyFFMIJCDCLOQSIP-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.39
Rot. Bonds7

About N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 86303062) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID86303062
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN4O/c1-17-6-7-20(2)10-11-9-18-19-15(11)13-8-12(16)4-5-14(13)21-3/h4-5,8-9,17H,6-7,10H2,1-3H3,(H,18,19)
InChIKeyFFMIJCDCLOQSIP-UHFFFAOYSA-N
XLogP2.39
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
N,N'-dimethyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117666015
N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 117671021
N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117673395
N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 121342334
1-(2-chlorophenyl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16190269
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperidin-3-amine
CID 47621649
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
US11306096, Example 67
CID 130430960
US11306096, Example 77
CID 130431011
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
CID 2812601
N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
CID 6625305

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 86303062) is N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1-c1cc(Cl)ccc1OC.
What is the InChIKey of N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is FFMIJCDCLOQSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-17-6-7-20(2)10-11-9-18-19-15(11)13-8-12(16)4-5-14(13)21-3/h4-5,8-9,17H,6-7,10H2,1-3H3,(H,18,19).
What are the key properties of N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 308.81 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 86303062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).