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

C12H16N4O — CID 117209943

IUPACN'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
SMILESCOc1ccc(-c2[nH]ncc2NCCN)cc1
InChIInChI=1S/C12H16N4O/c1-17-10-4-2-9(3-5-10)12-11(8-15-16-12)14-7-6-13/h2-5,8,14H,6-7,13H2,1H3,(H,15,16)
InChIKeyCIRFUGQOZHHMRO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.46
Rot. Bonds5

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

N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117209943) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
PubChem CID117209943
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
SMILESCOc1ccc(-c2[nH]ncc2NCCN)cc1
InChIInChI=1S/C12H16N4O/c1-17-10-4-2-9(3-5-10)12-11(8-15-16-12)14-7-6-13/h2-5,8,14H,6-7,13H2,1H3,(H,15,16)
InChIKeyCIRFUGQOZHHMRO-UHFFFAOYSA-N
XLogP1.46
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[5-(4-bromophenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine
CID 117209938
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
CID 143794069
2-fluoroethyl 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
CID 75523916
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]butan-2-amine
CID 170888752
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 42512816
5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
CID 75517162
N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119653733
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103
N-[(4-methoxyphenyl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 114989818

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine (CID 117209943) is N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine is COc1ccc(-c2[nH]ncc2NCCN)cc1.
What is the InChIKey of N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is CIRFUGQOZHHMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-10-4-2-9(3-5-10)12-11(8-15-16-12)14-7-6-13/h2-5,8,14H,6-7,13H2,1H3,(H,15,16).
What are the key properties of N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine?
N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117209943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).