1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine

C9H18N4O — CID 103568986

IUPAC1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine
SMILESCOCC(N)CNc1cc(C)nn1C
InChIInChI=1S/C9H18N4O/c1-7-4-9(13(2)12-7)11-5-8(10)6-14-3/h4,8,11H,5-6,10H2,1-3H3
InChIKeyDNEORGVEUKMAET-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.11
Rot. Bonds5

About 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine

1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine (PubChem CID 103568986) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine
PubChem CID103568986
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine
SMILESCOCC(N)CNc1cc(C)nn1C
InChIInChI=1S/C9H18N4O/c1-7-4-9(13(2)12-7)11-5-8(10)6-14-3/h4,8,11H,5-6,10H2,1-3H3
InChIKeyDNEORGVEUKMAET-UHFFFAOYSA-N
XLogP0.11
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523401
2,5-dimethyl-N-[(2S)-2-phenylpropyl]pyrazol-3-amine
CID 129403163
1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine
CID 103568996
N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
CID 103569049
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103568966
N-[(3,5-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126967917
N'-(2,5-dimethylpyrazol-3-yl)-2,2-diethylpropane-1,3-diamine
CID 103569155
N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103569108
N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 130610447
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea
CID 97068353
N-(2-methoxyethoxy)-2,5-dimethylpyrazole-3-carboxamide
CID 79676798

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine?
The IUPAC name of 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine (CID 103568986) is 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine?
The canonical SMILES for 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine is COCC(N)CNc1cc(C)nn1C.
What is the InChIKey of 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine?
The InChIKey is DNEORGVEUKMAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7-4-9(13(2)12-7)11-5-8(10)6-14-3/h4,8,11H,5-6,10H2,1-3H3.
What are the key properties of 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine?
1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine has a molecular weight of 198.27 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 103568986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).