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

C22H28N6O2 — CID 26348680

IUPACN-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C
InChIInChI=1S/C22H28N6O2/c1-5-27(6-2)13-12-23-21(29)19-15-25-28(16(19)3)22-24-11-10-20(26-22)17-8-7-9-18(14-17)30-4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,23,29)
InChIKeyKCIFKHHIGVUZPM-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.72
Rot. Bonds9

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

N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 26348680) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
PubChem CID26348680
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C
InChIInChI=1S/C22H28N6O2/c1-5-27(6-2)13-12-23-21(29)19-15-25-28(16(19)3)22-24-11-10-20(26-22)17-8-7-9-18(14-17)30-4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,23,29)
InChIKeyKCIFKHHIGVUZPM-UHFFFAOYSA-N
XLogP2.72
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-N-(2-methoxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26350870
ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate
CID 42167362
5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42171058
5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42452521
1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42166080
5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide
CID 42472961
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 26320964
1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42172187
4-chloro-N-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627055
1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 166613247
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 26316917
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide (CID 26348680) is N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide is CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is KCIFKHHIGVUZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-5-27(6-2)13-12-23-21(29)19-15-25-28(16(19)3)22-24-11-10-20(26-22)17-8-7-9-18(14-17)30-4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,23,29).
What are the key properties of N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 26348680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).