N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride

C14H20Cl2N4 — CID 120844295

IUPACN'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCl.Cn1ncc(Cl)c1CN(CCN)Cc1ccccc1
InChIInChI=1S/C14H19ClN4.ClH/c1-18-14(13(15)9-17-18)11-19(8-7-16)10-12-5-3-2-4-6-12;/h2-6,9H,7-8,10-11,16H2,1H3;1H
InChIKeyRNFNJKIFEXCTIK-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.46
Rot. Bonds6

About N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride

N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride (PubChem CID 120844295) has the molecular formula C14H20Cl2N4 and a molecular weight of 315.25 g/mol. Its IUPAC name is N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
PubChem CID120844295
Molecular FormulaC14H20Cl2N4
Molecular Weight315.25 g/mol
Exact Mass314.11
IUPAC NameN'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCl.Cn1ncc(Cl)c1CN(CCN)Cc1ccccc1
InChIInChI=1S/C14H19ClN4.ClH/c1-18-14(13(15)9-17-18)11-19(8-7-16)10-12-5-3-2-4-6-12;/h2-6,9H,7-8,10-11,16H2,1H3;1H
InChIKeyRNFNJKIFEXCTIK-UHFFFAOYSA-N
XLogP2.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-N'-[(4-bromo-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844337
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N'-benzyl-N'-[(5-chloro-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 104973899
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
CID 120844370
N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104869964
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine
CID 130600119
N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844372
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride (CID 120844295) is N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride is Cl.Cn1ncc(Cl)c1CN(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is RNFNJKIFEXCTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4.ClH/c1-18-14(13(15)9-17-18)11-19(8-7-16)10-12-5-3-2-4-6-12;/h2-6,9H,7-8,10-11,16H2,1H3;1H.
What are the key properties of N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride?
N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 315.25 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120844295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).