N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide

C23H31N7O — CID 163218198

IUPACN-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C
InChIInChI=1S/C23H31N7O/c1-6-30(7-2)11-10-24-22(31)21-15-20(28-29(21)5)19-8-9-25-23(27-19)26-18-13-16(3)12-17(4)14-18/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,24,31)(H,25,26,27)
InChIKeyQDNZBBCPCDEYQT-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.31
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide

N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 163218198) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID163218198
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC NameN-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C
InChIInChI=1S/C23H31N7O/c1-6-30(7-2)11-10-24-22(31)21-15-20(28-29(21)5)19-8-9-25-23(27-19)26-18-13-16(3)12-17(4)14-18/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,24,31)(H,25,26,27)
InChIKeyQDNZBBCPCDEYQT-UHFFFAOYSA-N
XLogP3.31
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methyl-N-[2-(methylamino)ethyl]pyrazole-5-carboxamide;hydrochloride
CID 163218276
ethyl 3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218066
3-[2-(3,5-difluoroanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylic acid
CID 163218205
ethyl 3-[2-(3-methoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218244
1-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazole-5-carboxylic acid
CID 163218257
N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-[2-(3,5-difluoroanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
CID 163218239
4-butan-2-yl-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
CID 175710527
N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-[2-[(1,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
CID 163218141
N-[(1S,2R)-2-aminocyclohexyl]-3-[2-(3,5-dichloroanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
CID 163218267
4-(2-bromo-1,3-thiazol-4-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11233745
N-[[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-ethylthiophen-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 142948279
N-[(1S,2R)-2-aminocyclohexyl]-3-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
CID 163218233

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide (CID 163218198) is N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nn1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is QDNZBBCPCDEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-6-30(7-2)11-10-24-22(31)21-15-20(28-29(21)5)19-8-9-25-23(27-19)26-18-13-16(3)12-17(4)14-18/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,24,31)(H,25,26,27).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 163218198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).