1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine

C12H17N5 — CID 43554009

IUPAC1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCc2ccccn2)c1N
InChIInChI=1S/C12H17N5/c1-9-11(13)12(17(2)16-9)15-8-6-10-5-3-4-7-14-10/h3-5,7,15H,6,8,13H2,1-2H3
InChIKeyYXZPKPGYOKLGCE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.36
Rot. Bonds4

About 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine (PubChem CID 43554009) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
PubChem CID43554009
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCc2ccccn2)c1N
InChIInChI=1S/C12H17N5/c1-9-11(13)12(17(2)16-9)15-8-6-10-5-3-4-7-14-10/h3-5,7,15H,6,8,13H2,1-2H3
InChIKeyYXZPKPGYOKLGCE-UHFFFAOYSA-N
XLogP1.36
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069
1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 66017201
1,3-dimethyl-5-(2-pyridin-2-ylethylamino)pyrazole-4-carbothioamide
CID 63758762
1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 66019219
5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43564929
1,3-dimethyl-5-(pyridin-2-ylmethylamino)pyrazole-4-carbothioamide
CID 63756682
5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 112646911
2-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyridine-2,3,4,5-tetramine
CID 67182756
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine
CID 63982907
N-[(2-methyltetrazol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 107042048
1,3-dimethyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
CID 61285224

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine (CID 43554009) is 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine is Cc1nn(C)c(NCCc2ccccn2)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine?
The InChIKey is YXZPKPGYOKLGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-11(13)12(17(2)16-9)15-8-6-10-5-3-4-7-14-10/h3-5,7,15H,6,8,13H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 43554009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).