(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide

C14H25N5O3 — CID 119800898

IUPAC(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCOCCNC(=O)Cn1cc(NC(=O)[C@@H](N)C(C)(C)C)cn1
InChIInChI=1S/C14H25N5O3/c1-14(2,3)12(15)13(21)18-10-7-17-19(8-10)9-11(20)16-5-6-22-4/h7-8,12H,5-6,9,15H2,1-4H3,(H,16,20)(H,18,21)/t12-/m1/s1
InChIKeyUVGAIMFAOCXMLD-GFCCVEGCSA-N
MW311.39 g/mol
LogP-0.04
Rot. Bonds7

About (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide (PubChem CID 119800898) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
PubChem CID119800898
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Name(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCOCCNC(=O)Cn1cc(NC(=O)[C@@H](N)C(C)(C)C)cn1
InChIInChI=1S/C14H25N5O3/c1-14(2,3)12(15)13(21)18-10-7-17-19(8-10)9-11(20)16-5-6-22-4/h7-8,12H,5-6,9,15H2,1-4H3,(H,16,20)(H,18,21)/t12-/m1/s1
InChIKeyUVGAIMFAOCXMLD-GFCCVEGCSA-N
XLogP-0.04
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
CID 119333449
4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119333445
2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
3-(2-aminophenyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120611234
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
CID 62472501
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 119822675
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide (CID 119800898) is (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide is COCCNC(=O)Cn1cc(NC(=O)[C@@H](N)C(C)(C)C)cn1.
What is the InChIKey of (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide?
The InChIKey is UVGAIMFAOCXMLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-14(2,3)12(15)13(21)18-10-7-17-19(8-10)9-11(20)16-5-6-22-4/h7-8,12H,5-6,9,15H2,1-4H3,(H,16,20)(H,18,21)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide has a molecular weight of 311.39 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119800898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).