2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol

C10H19N3O2 — CID 61071648

IUPAC2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
SMILESCc1nn(CCOCCO)c(C)c1CN
InChIInChI=1S/C10H19N3O2/c1-8-10(7-11)9(2)13(12-8)3-5-15-6-4-14/h14H,3-7,11H2,1-2H3
InChIKeyLWLCLWZBMCTECE-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.03
Rot. Bonds6

About 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol

2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol (PubChem CID 61071648) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
PubChem CID61071648
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
SMILESCc1nn(CCOCCO)c(C)c1CN
InChIInChI=1S/C10H19N3O2/c1-8-10(7-11)9(2)13(12-8)3-5-15-6-4-14/h14H,3-7,11H2,1-2H3
InChIKeyLWLCLWZBMCTECE-UHFFFAOYSA-N
XLogP-0.03
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 61483803
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104565540
2-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 54956296
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine
CID 43647568
(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine
CID 104811561
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile
CID 43647483
propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 71757919
methyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 71757186
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol (CID 61071648) is 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol is Cc1nn(CCOCCO)c(C)c1CN.
What is the InChIKey of 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol?
The InChIKey is LWLCLWZBMCTECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8-10(7-11)9(2)13(12-8)3-5-15-6-4-14/h14H,3-7,11H2,1-2H3.
What are the key properties of 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol?
2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol has a molecular weight of 213.28 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 61071648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).