1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine

C10H18N4O — CID 103078320

IUPAC1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
SMILESCn1cc(N)c(NCCC2CCCO2)n1
InChIInChI=1S/C10H18N4O/c1-14-7-9(11)10(13-14)12-5-4-8-3-2-6-15-8/h7-8H,2-6,11H2,1H3,(H,12,13)
InChIKeyVLKYIDODYJKACM-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.98
Rot. Bonds4

About 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine

1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine (PubChem CID 103078320) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
PubChem CID103078320
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
SMILESCn1cc(N)c(NCCC2CCCO2)n1
InChIInChI=1S/C10H18N4O/c1-14-7-9(11)10(13-14)12-5-4-8-3-2-6-15-8/h7-8H,2-6,11H2,1H3,(H,12,13)
InChIKeyVLKYIDODYJKACM-UHFFFAOYSA-N
XLogP0.98
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[2-(oxolan-2-yl)ethyl]pyrazol-4-amine
CID 79770820
1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine
CID 97298341
6-methoxy-2-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3-diamine
CID 115320635
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355547
1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
CID 62938870
1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66018882
6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79827367
2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
2-N-[2-(oxolan-2-yl)ethyl]pyrazine-2,5-diamine
CID 80652214
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963
6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine (CID 103078320) is 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine is Cn1cc(N)c(NCCC2CCCO2)n1.
What is the InChIKey of 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine?
The InChIKey is VLKYIDODYJKACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-7-9(11)10(13-14)12-5-4-8-3-2-6-15-8/h7-8H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine?
1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine is sourced from PubChem (CID 103078320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).