N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C15H22N4 — CID 43126047

IUPACN-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)c1cnn(C)c1
InChIInChI=1S/C15H22N4/c1-3-19(11-13-7-5-4-6-8-13)15(9-16)14-10-17-18(2)12-14/h4-8,10,12,15H,3,9,11,16H2,1-2H3
InChIKeyRRCVXMKAJQRNFJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.94
Rot. Bonds6

About N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 43126047) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID43126047
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)c1cnn(C)c1
InChIInChI=1S/C15H22N4/c1-3-19(11-13-7-5-4-6-8-13)15(9-16)14-10-17-18(2)12-14/h4-8,10,12,15H,3,9,11,16H2,1-2H3
InChIKeyRRCVXMKAJQRNFJ-UHFFFAOYSA-N
XLogP1.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43125888
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
CID 43126038
N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450546
N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 61411834
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564795
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199885
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 54987034
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 103569442

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 43126047) is N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CCN(Cc1ccccc1)C(CN)c1cnn(C)c1.
What is the InChIKey of N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is RRCVXMKAJQRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19(11-13-7-5-4-6-8-13)15(9-16)14-10-17-18(2)12-14/h4-8,10,12,15H,3,9,11,16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43126047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).