3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine

C11H23N5 — CID 103187585

IUPAC3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
SMILESCCN(c1nn(C)cc1N)C(C)CN(C)C
InChIInChI=1S/C11H23N5/c1-6-16(9(2)7-14(3)4)11-10(12)8-15(5)13-11/h8-9H,6-7,12H2,1-5H3
InChIKeyPMFLUNLTKIKPHJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.78
Rot. Bonds5

About 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine

3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine (PubChem CID 103187585) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
PubChem CID103187585
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
SMILESCCN(c1nn(C)cc1N)C(C)CN(C)C
InChIInChI=1S/C11H23N5/c1-6-16(9(2)7-14(3)4)11-10(12)8-15(5)13-11/h8-9H,6-7,12H2,1-5H3
InChIKeyPMFLUNLTKIKPHJ-UHFFFAOYSA-N
XLogP0.78
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,1-dimethyl-3-N-(2-methylbutan-2-yl)pyrazole-3,4-diamine
CID 103078545
2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol
CID 103078277
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103187371
8-N-[1-(dimethylamino)propan-2-yl]-8-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 103192558
2-N-(3,5-dibromo-2-pyridinyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190681
3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103077816
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-6-propoxypyrimidine-4,5-diamine
CID 103187597
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
CID 103078240
3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
CID 103078693
3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine
CID 103077806
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide
CID 103078834
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
CID 103187647

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine (CID 103187585) is 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine is CCN(c1nn(C)cc1N)C(C)CN(C)C.
What is the InChIKey of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine?
The InChIKey is PMFLUNLTKIKPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-6-16(9(2)7-14(3)4)11-10(12)8-15(5)13-11/h8-9H,6-7,12H2,1-5H3.
What are the key properties of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine?
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine has a molecular weight of 225.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103187585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).