N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide

C14H17ClN4O — CID 106044881

IUPACN-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1c(CNCC(=O)Nc2cccc(Cl)c2)cnn1C
InChIInChI=1S/C14H17ClN4O/c1-10-11(8-17-19(10)2)7-16-9-14(20)18-13-5-3-4-12(15)6-13/h3-6,8,16H,7,9H2,1-2H3,(H,18,20)
InChIKeyDLPDMRZVRLLFSF-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.11
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide

N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 106044881) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
PubChem CID106044881
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1c(CNCC(=O)Nc2cccc(Cl)c2)cnn1C
InChIInChI=1S/C14H17ClN4O/c1-10-11(8-17-19(10)2)7-16-9-14(20)18-13-5-3-4-12(15)6-13/h3-6,8,16H,7,9H2,1-2H3,(H,18,20)
InChIKeyDLPDMRZVRLLFSF-UHFFFAOYSA-N
XLogP2.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromophenyl)methylamino]-N-(3-chlorophenyl)acetamide
CID 61401955
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
N-(3-chlorophenyl)-2-[(5-ethylthiophen-2-yl)methylamino]acetamide
CID 106011028
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea
CID 75514279
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19326759
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859261

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide (CID 106044881) is N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide is Cc1c(CNCC(=O)Nc2cccc(Cl)c2)cnn1C.
What is the InChIKey of N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is DLPDMRZVRLLFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10-11(8-17-19(10)2)7-16-9-14(20)18-13-5-3-4-12(15)6-13/h3-6,8,16H,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide?
N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 292.77 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 106044881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).