4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide

C15H21N5O — CID 66124755

IUPAC4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCN(C)c2ccccc2)c1N
InChIInChI=1S/C15H21N5O/c1-11-13(16)14(20(3)18-11)15(21)17-9-10-19(2)12-7-5-4-6-8-12/h4-8H,9-10,16H2,1-3H3,(H,17,21)
InChIKeyXLDFUCHKHLROPE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.18
Rot. Bonds5

About 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide (PubChem CID 66124755) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
PubChem CID66124755
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCN(C)c2ccccc2)c1N
InChIInChI=1S/C15H21N5O/c1-11-13(16)14(20(3)18-11)15(21)17-9-10-19(2)12-7-5-4-6-8-12/h4-8H,9-10,16H2,1-3H3,(H,17,21)
InChIKeyXLDFUCHKHLROPE-UHFFFAOYSA-N
XLogP1.18
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-3-carboxamide
CID 62080891
4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 65357594
4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66125184
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123415
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122214
4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66120267
4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 66124598
4-amino-1,3-dimethyl-N-pent-4-ynylpyrazole-5-carboxamide
CID 106219829
4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide
CID 113287247
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]thiophene-2-carboxamide
CID 61113294

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide (CID 66124755) is 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCN(C)c2ccccc2)c1N.
What is the InChIKey of 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide?
The InChIKey is XLDFUCHKHLROPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-13(16)14(20(3)18-11)15(21)17-9-10-19(2)12-7-5-4-6-8-12/h4-8H,9-10,16H2,1-3H3,(H,17,21).
What are the key properties of 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66124755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).