1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

C14H21N5 — CID 103569459

IUPAC1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)N(C)Cc2ccncc2)cn1
InChIInChI=1S/C14H21N5/c1-3-19-11-13(9-17-19)14(8-15)18(2)10-12-4-6-16-7-5-12/h4-7,9,11,14H,3,8,10,15H2,1-2H3
InChIKeyWIWMGXVFCPXHSA-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.43
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 103569459) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID103569459
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)N(C)Cc2ccncc2)cn1
InChIInChI=1S/C14H21N5/c1-3-19-11-13(9-17-19)14(8-15)18(2)10-12-4-6-16-7-5-12/h4-7,9,11,14H,3,8,10,15H2,1-2H3
InChIKeyWIWMGXVFCPXHSA-UHFFFAOYSA-N
XLogP1.43
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569436
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 103569668
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 103569698
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60790409
N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569513
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43564017
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 103569442

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 103569459) is 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCn1cc(C(CN)N(C)Cc2ccncc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is WIWMGXVFCPXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-19-11-13(9-17-19)14(8-15)18(2)10-12-4-6-16-7-5-12/h4-7,9,11,14H,3,8,10,15H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 103569459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).