4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide

C14H17ClN4O2 — CID 103154914

IUPAC4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C14H17ClN4O2/c1-21-11(9-16)8-14(20)18-12-7-10(15)3-4-13(12)19-6-2-5-17-19/h2-7,11H,8-9,16H2,1H3,(H,18,20)
InChIKeyOJOXZGJEVAIKTJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.83
Rot. Bonds6

About 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide

4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide (PubChem CID 103154914) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
PubChem CID103154914
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C14H17ClN4O2/c1-21-11(9-16)8-14(20)18-12-7-10(15)3-4-13(12)19-6-2-5-17-19/h2-7,11H,8-9,16H2,1H3,(H,18,20)
InChIKeyOJOXZGJEVAIKTJ-UHFFFAOYSA-N
XLogP1.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-(2-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120586313
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide (CID 103154914) is 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide is COC(CN)CC(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide?
The InChIKey is OJOXZGJEVAIKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-21-11(9-16)8-14(20)18-12-7-10(15)3-4-13(12)19-6-2-5-17-19/h2-7,11H,8-9,16H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide?
4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide has a molecular weight of 308.77 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide is sourced from PubChem (CID 103154914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).