3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine

C10H18N4O — CID 103078379

IUPAC3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine
SMILESCOC1CCCC1Nc1nn(C)cc1N
InChIInChI=1S/C10H18N4O/c1-14-6-7(11)10(13-14)12-8-4-3-5-9(8)15-2/h6,8-9H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyVDVNIBRTTOFQPD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.98
Rot. Bonds3

About 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine

3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine (PubChem CID 103078379) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine
PubChem CID103078379
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine
SMILESCOC1CCCC1Nc1nn(C)cc1N
InChIInChI=1S/C10H18N4O/c1-14-6-7(11)10(13-14)12-8-4-3-5-9(8)15-2/h6,8-9H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyVDVNIBRTTOFQPD-UHFFFAOYSA-N
XLogP0.98
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine
CID 115474051
4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-4,6-diamine
CID 80818365
3-N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine
CID 103078573
3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
CID 103078915
3-N-(3,4-dimethylcyclohexyl)-1-methylpyrazole-3,4-diamine
CID 103078600
N-(2-methoxycyclopentyl)-3,6-dimethylpyrazin-2-amine
CID 65417548
5-N-(2-methoxycyclopentyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029779
3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 103078644
4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
CID 80817558
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
CID 62088185
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
CID 103078216
3-N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazole-3,4-diamine
CID 114008128

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine (CID 103078379) is 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine is COC1CCCC1Nc1nn(C)cc1N.
What is the InChIKey of 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is VDVNIBRTTOFQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-6-7(11)10(13-14)12-8-4-3-5-9(8)15-2/h6,8-9H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine?
3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxycyclopentyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).