3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride

C10H19ClN4O — CID 119728601

IUPAC3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCCn1cc(NC(=O)C(C)(C)CN)cn1.Cl
InChIInChI=1S/C10H18N4O.ClH/c1-4-14-6-8(5-12-14)13-9(15)10(2,3)7-11;/h5-6H,4,7,11H2,1-3H3,(H,13,15);1H
InChIKeyJVOBVNQGDCNDIP-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.25
Rot. Bonds4

About 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride

3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119728601) has the molecular formula C10H19ClN4O and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119728601
Molecular FormulaC10H19ClN4O
Molecular Weight246.74 g/mol
Exact Mass246.12
IUPAC Name3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCCn1cc(NC(=O)C(C)(C)CN)cn1.Cl
InChIInChI=1S/C10H18N4O.ClH/c1-4-14-6-8(5-12-14)13-9(15)10(2,3)7-11;/h5-6H,4,7,11H2,1-3H3,(H,13,15);1H
InChIKeyJVOBVNQGDCNDIP-UHFFFAOYSA-N
XLogP1.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
CID 114290372
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548611
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
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ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
1-amino-N-(1-ethylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
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1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride (CID 119728601) is 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride is CCn1cc(NC(=O)C(C)(C)CN)cn1.Cl.
What is the InChIKey of 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is JVOBVNQGDCNDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.ClH/c1-4-14-6-8(5-12-14)13-9(15)10(2,3)7-11;/h5-6H,4,7,11H2,1-3H3,(H,13,15);1H.
What are the key properties of 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119728601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).