N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide

C16H21N5O2 — CID 136556926

IUPACN-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(CCN(C)C)c2)cc1C(N)=O
InChIInChI=1S/C16H21N5O2/c1-11-4-5-13(8-14(11)15(17)22)19-16(23)12-9-18-21(10-12)7-6-20(2)3/h4-5,8-10H,6-7H2,1-3H3,(H2,17,22)(H,19,23)
InChIKeyOBJSERLGMKXYAB-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.10
Rot. Bonds6

About N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide

N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 136556926) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide
PubChem CID136556926
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(CCN(C)C)c2)cc1C(N)=O
InChIInChI=1S/C16H21N5O2/c1-11-4-5-13(8-14(11)15(17)22)19-16(23)12-9-18-21(10-12)7-6-20(2)3/h4-5,8-10H,6-7H2,1-3H3,(H2,17,22)(H,19,23)
InChIKeyOBJSERLGMKXYAB-UHFFFAOYSA-N
XLogP1.10
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
1-[3-(3,4-dimethylanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482916
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
CID 95744341
3-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471125
1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide
CID 136551225
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392
3-[4-[[4-(diethylamino)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471097
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-4-carboxamide
CID 3249821
1-(2-aminopropyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carboxamide
CID 167825875

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide (CID 136556926) is N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(CCN(C)C)c2)cc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide?
The InChIKey is OBJSERLGMKXYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-4-5-13(8-14(11)15(17)22)19-16(23)12-9-18-21(10-12)7-6-20(2)3/h4-5,8-10H,6-7H2,1-3H3,(H2,17,22)(H,19,23).
What are the key properties of N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide?
N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136556926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).