1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine

C12H22N4O2 — CID 104759023

IUPAC1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCC1(OC)CCOC1
InChIInChI=1S/C12H22N4O2/c1-4-16-11(10(13)9(2)15-16)14-7-12(17-3)5-6-18-8-12/h14H,4-8,13H2,1-3H3
InChIKeyOUCJMQQIQFXKDZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.01
Rot. Bonds5

About 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine

1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine (PubChem CID 104759023) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine
PubChem CID104759023
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCC1(OC)CCOC1
InChIInChI=1S/C12H22N4O2/c1-4-16-11(10(13)9(2)15-16)14-7-12(17-3)5-6-18-8-12/h14H,4-8,13H2,1-3H3
InChIKeyOUCJMQQIQFXKDZ-UHFFFAOYSA-N
XLogP1.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104705779
1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
CID 104762687
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 104758350
4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol
CID 81135030
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104760674
6-methoxy-2-N-[(3-methoxyoxolan-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 104767448
ethyl 4-amino-3-[(3-methoxyoxolan-3-yl)methylamino]benzoate
CID 104765070
2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine
CID 104759004
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine
CID 114478239
6-hydrazinyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 104767560

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine (CID 104759023) is 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCC1(OC)CCOC1.
What is the InChIKey of 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine?
The InChIKey is OUCJMQQIQFXKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-16-11(10(13)9(2)15-16)14-7-12(17-3)5-6-18-8-12/h14H,4-8,13H2,1-3H3.
What are the key properties of 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine?
1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 104759023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).