N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide

C14H17ClN4O — CID 62130518

IUPACN-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2N)c(C)c1Cl
InChIInChI=1S/C14H17ClN4O/c1-9-14(15)10(2)19(18-9)8-7-13(20)17-12-6-4-3-5-11(12)16/h3-6H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyBGTVCWPTJRMODS-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.76
Rot. Bonds4

About N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide

N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 62130518) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID62130518
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccccc2N)c(C)c1Cl
InChIInChI=1S/C14H17ClN4O/c1-9-14(15)10(2)19(18-9)8-7-13(20)17-12-6-4-3-5-11(12)16/h3-6H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyBGTVCWPTJRMODS-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62129891
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CID 60546437
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19337696
N-(3-aminopropyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19621093
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
N-(2-aminophenyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide;hydrochloride
CID 119422553
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19285441
N-(2-aminophenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide
CID 61346705
N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 55064353
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491
N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 122157420
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide (CID 62130518) is N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2ccccc2N)c(C)c1Cl.
What is the InChIKey of N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is BGTVCWPTJRMODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-14(15)10(2)19(18-9)8-7-13(20)17-12-6-4-3-5-11(12)16/h3-6H,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide?
N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 292.77 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 62130518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).