2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine

C9H18N4O — CID 103388669

IUPAC2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
SMILESCOCCn1cc(NC(C)CN)cn1
InChIInChI=1S/C9H18N4O/c1-8(5-10)12-9-6-11-13(7-9)3-4-14-2/h6-8,12H,3-5,10H2,1-2H3
InChIKeyUHGCBGNGZIBMEO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.29
Rot. Bonds6

About 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine

2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine (PubChem CID 103388669) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
PubChem CID103388669
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
SMILESCOCCn1cc(NC(C)CN)cn1
InChIInChI=1S/C9H18N4O/c1-8(5-10)12-9-6-11-13(7-9)3-4-14-2/h6-8,12H,3-5,10H2,1-2H3
InChIKeyUHGCBGNGZIBMEO-UHFFFAOYSA-N
XLogP0.29
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
1-(2-methoxyethyl)-N-(4-phenylbutan-2-yl)pyrazol-4-amine
CID 43729083
1-(2-methoxyethyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43728870
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
CID 43729057
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 83117285
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 113226468
1-(2-methoxyethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]pyrazol-4-amine
CID 43728912
1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
CID 79007290
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine (CID 103388669) is 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine is COCCn1cc(NC(C)CN)cn1.
What is the InChIKey of 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine?
The InChIKey is UHGCBGNGZIBMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8(5-10)12-9-6-11-13(7-9)3-4-14-2/h6-8,12H,3-5,10H2,1-2H3.
What are the key properties of 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine?
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine has a molecular weight of 198.27 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine is sourced from PubChem (CID 103388669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).