2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride

C11H21ClN4O2 — CID 119292257

IUPAC2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
SMILESCOCCn1cc(NC(=O)C(N)C(C)C)cn1.Cl
InChIInChI=1S/C11H20N4O2.ClH/c1-8(2)10(12)11(16)14-9-6-13-15(7-9)4-5-17-3;/h6-8,10H,4-5,12H2,1-3H3,(H,14,16);1H
InChIKeyPFKZADZEOLZLQK-UHFFFAOYSA-N
MW276.77 g/mol
LogP0.87
Rot. Bonds6

About 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride

2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride (PubChem CID 119292257) has the molecular formula C11H21ClN4O2 and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
PubChem CID119292257
Molecular FormulaC11H21ClN4O2
Molecular Weight276.77 g/mol
Exact Mass276.14
IUPAC Name2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
SMILESCOCCn1cc(NC(=O)C(N)C(C)C)cn1.Cl
InChIInChI=1S/C11H20N4O2.ClH/c1-8(2)10(12)11(16)14-9-6-13-15(7-9)4-5-17-3;/h6-8,10H,4-5,12H2,1-3H3,(H,14,16);1H
InChIKeyPFKZADZEOLZLQK-UHFFFAOYSA-N
XLogP0.87
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
2-(N'-hydroxycarbamimidoyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide
CID 76926717
4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
CID 64895222
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 115286389
methyl N-[(2R)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 95148726
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
CID 119800898
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 113226468

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride (CID 119292257) is 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride is COCCn1cc(NC(=O)C(N)C(C)C)cn1.Cl.
What is the InChIKey of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride?
The InChIKey is PFKZADZEOLZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2.ClH/c1-8(2)10(12)11(16)14-9-6-13-15(7-9)4-5-17-3;/h6-8,10H,4-5,12H2,1-3H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride?
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119292257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).