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

C10H18N4O — CID 97298341

IUPAC1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine
SMILESCCn1cc(N)c(NC[C@H]2CCCO2)n1
InChIInChI=1S/C10H18N4O/c1-2-14-7-9(11)10(13-14)12-6-8-4-3-5-15-8/h7-8H,2-6,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyDAYKITIJMMWADU-MRVPVSSYSA-N
MW210.28 g/mol
LogP1.08
Rot. Bonds4

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

1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine (PubChem CID 97298341) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine
PubChem CID97298341
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine
SMILESCCn1cc(N)c(NC[C@H]2CCCO2)n1
InChIInChI=1S/C10H18N4O/c1-2-14-7-9(11)10(13-14)12-6-8-4-3-5-15-8/h7-8H,2-6,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyDAYKITIJMMWADU-MRVPVSSYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-N-[2-(oxolan-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078320
3-N-cyclopropyl-1-ethylpyrazole-3,4-diamine
CID 90481054
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride
CID 102565631
1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 19571935
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 51855014
3-ethyl-N-[[(2S)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584408

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine?
The IUPAC name of 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine (CID 97298341) is 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine.
What is the SMILES notation for 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine?
The canonical SMILES for 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine is CCn1cc(N)c(NC[C@H]2CCCO2)n1.
What is the InChIKey of 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine?
The InChIKey is DAYKITIJMMWADU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-14-7-9(11)10(13-14)12-6-8-4-3-5-15-8/h7-8H,2-6,11H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine?
1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3,4-diamine is sourced from PubChem (CID 97298341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).