N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide

C15H19N5O2 — CID 120604390

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)NCCN)cnn1C
InChIInChI=1S/C15H19N5O2/c1-10-12(9-18-20(10)2)15(22)19-13-6-4-3-5-11(13)14(21)17-8-7-16/h3-6,9H,7-8,16H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyMAGCSHHCXIXLBG-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.67
Rot. Bonds5

About N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 120604390) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID120604390
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)NCCN)cnn1C
InChIInChI=1S/C15H19N5O2/c1-10-12(9-18-20(10)2)15(22)19-13-6-4-3-5-11(13)14(21)17-8-7-16/h3-6,9H,7-8,16H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyMAGCSHHCXIXLBG-UHFFFAOYSA-N
XLogP0.67
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 43175580
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120604207
N-[2-(chloromethyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114298281
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-(2-aminoethyl)-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]benzamide;dihydrochloride
CID 120603325
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
CID 107000042
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide (CID 120604390) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2C(=O)NCCN)cnn1C.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is MAGCSHHCXIXLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-12(9-18-20(10)2)15(22)19-13-6-4-3-5-11(13)14(21)17-8-7-16/h3-6,9H,7-8,16H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 120604390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).