1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine

C14H21N5 — CID 66017201

IUPAC1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCCc2ccccn2)c1N
InChIInChI=1S/C14H21N5/c1-10(2)13-12(15)14(19(3)18-13)17-9-7-11-6-4-5-8-16-11/h4-6,8,10,17H,7,9,15H2,1-3H3
InChIKeyZCZAWDPRONWAKX-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.18
Rot. Bonds5

About 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine

1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine (PubChem CID 66017201) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
PubChem CID66017201
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCCc2ccccn2)c1N
InChIInChI=1S/C14H21N5/c1-10(2)13-12(15)14(19(3)18-13)17-9-7-11-6-4-5-8-16-11/h4-6,8,10,17H,7,9,15H2,1-3H3
InChIKeyZCZAWDPRONWAKX-UHFFFAOYSA-N
XLogP2.18
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 43554009
1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
CID 106894776
1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069
1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66017234
1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 66019219
1,3-dimethyl-5-(2-pyridin-2-ylethylamino)pyrazole-4-carbothioamide
CID 63758762
5-N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 107845996
1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011943
1-methyl-3-propan-2-yl-5-N-(1H-pyrazol-5-ylmethyl)pyrazole-4,5-diamine
CID 66017428
5-N-(3-ethylsulfanylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 114247802
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
CID 60719749

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine (CID 66017201) is 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine is CC(C)c1nn(C)c(NCCc2ccccn2)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine?
The InChIKey is ZCZAWDPRONWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)13-12(15)14(19(3)18-13)17-9-7-11-6-4-5-8-16-11/h4-6,8,10,17H,7,9,15H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine?
1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66017201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).