ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride

C10H18ClN3O2 — CID 71757883

IUPACethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
SMILESCCOC(=O)Cn1nc(C)c(CN)c1C.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-4-15-10(14)6-13-8(3)9(5-11)7(2)12-13;/h4-6,11H2,1-3H3;1H
InChIKeyYKYGYNPESTWWOQ-UHFFFAOYSA-N
MW247.73 g/mol
LogP0.94
Rot. Bonds4

About ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride

ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride (PubChem CID 71757883) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
PubChem CID71757883
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Nameethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
SMILESCCOC(=O)Cn1nc(C)c(CN)c1C.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-4-15-10(14)6-13-8(3)9(5-11)7(2)12-13;/h4-6,11H2,1-3H3;1H
InChIKeyYKYGYNPESTWWOQ-UHFFFAOYSA-N
XLogP0.94
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetic acid
CID 651055
Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 2778421
Ethyl 2-(3,5-dimethyl-1h-pyrazol-1-yl)acetate
CID 4712180
Methyl 2-(4-amino-3,5-dimethyl-1H-pyrazol-1-YL)acetate
CID 28412419
(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
ethyl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 43647251
propan-2-yl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 61670923
2-[4-({[(tert-butoxy)carbonyl]amino}methyl)-3,5-dimethyl-1H-pyrazol-1-yl]acetic acid
CID 165889530
Ethyl 2-(4-(aminomethyl)-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 43647499
N~1~-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-methylglycinamide
CID 118774020
Ethyl 2-[5-(bromomethyl)-3,4-bis(trifluoromethyl)pyrazol-1-yl]acetate
CID 60052357
2-[3-(Fluoromethyl)-4,5-dimethylpyrazol-1-yl]acetic acid
CID 89032413

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride (CID 71757883) is ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride is CCOC(=O)Cn1nc(C)c(CN)c1C.Cl.
What is the InChIKey of ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride?
The InChIKey is YKYGYNPESTWWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c1-4-15-10(14)6-13-8(3)9(5-11)7(2)12-13;/h4-6,11H2,1-3H3;1H.
What are the key properties of ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride?
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 71757883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).