2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide

C13H15ClN4O — CID 106816369

IUPAC2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESCc1ccc(CNc2cnn(CC(N)=O)c2)cc1Cl
InChIInChI=1S/C13H15ClN4O/c1-9-2-3-10(4-12(9)14)5-16-11-6-17-18(7-11)8-13(15)19/h2-4,6-7,16H,5,8H2,1H3,(H2,15,19)
InChIKeyRTXVSMYXMGPNSE-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 106816369) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
PubChem CID106816369
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESCc1ccc(CNc2cnn(CC(N)=O)c2)cc1Cl
InChIInChI=1S/C13H15ClN4O/c1-9-2-3-10(4-12(9)14)5-16-11-6-17-18(7-11)8-13(15)19/h2-4,6-7,16H,5,8H2,1H3,(H2,15,19)
InChIKeyRTXVSMYXMGPNSE-UHFFFAOYSA-N
XLogP1.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695202
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60873892
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695053
2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 61263067
2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
CID 103087519

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide (CID 106816369) is 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide is Cc1ccc(CNc2cnn(CC(N)=O)c2)cc1Cl.
What is the InChIKey of 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is RTXVSMYXMGPNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9-2-3-10(4-12(9)14)5-16-11-6-17-18(7-11)8-13(15)19/h2-4,6-7,16H,5,8H2,1H3,(H2,15,19).
What are the key properties of 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 278.74 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 106816369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).