N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine

C14H20N4 — CID 117210311

IUPACN'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine
SMILESCc1cccc(Cc2c(NCCN)cnn2C)c1
InChIInChI=1S/C14H20N4/c1-11-4-3-5-12(8-11)9-14-13(16-7-6-15)10-17-18(14)2/h3-5,8,10,16H,6-7,9,15H2,1-2H3
InChIKeyFNDWWNKQVRQCCT-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.69
Rot. Bonds5

About N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine

N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210311) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210311
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine
SMILESCc1cccc(Cc2c(NCCN)cnn2C)c1
InChIInChI=1S/C14H20N4/c1-11-4-3-5-12(8-11)9-14-13(16-7-6-15)10-17-18(14)2/h3-5,8,10,16H,6-7,9,15H2,1-2H3
InChIKeyFNDWWNKQVRQCCT-UHFFFAOYSA-N
XLogP1.69
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[5-[(3-chlorophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210313
N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210316
N'-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propane-1,3-diamine
CID 117210317
N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 117224131
N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210259
N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
CID 117210689
N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 66879142
N-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine
CID 105423631
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine
CID 117210053

Frequently Asked Questions

What is the IUPAC name of N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine (CID 117210311) is N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine is Cc1cccc(Cc2c(NCCN)cnn2C)c1.
What is the InChIKey of N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is FNDWWNKQVRQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-4-3-5-12(8-11)9-14-13(16-7-6-15)10-17-18(14)2/h3-5,8,10,16H,6-7,9,15H2,1-2H3.
What are the key properties of N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine?
N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).