N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide

C17H24N6O — CID 126837770

IUPACN-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nc(C)cc(N2CCCC2CNC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H24N6O/c1-4-15-20-12(2)8-16(21-15)23-7-5-6-14(23)10-18-17(24)13-9-19-22(3)11-13/h8-9,11,14H,4-7,10H2,1-3H3,(H,18,24)
InChIKeyWEMHYZLIFDZOKJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.48
Rot. Bonds5

About N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 126837770) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID126837770
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nc(C)cc(N2CCCC2CNC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H24N6O/c1-4-15-20-12(2)8-16(21-15)23-7-5-6-14(23)10-18-17(24)13-9-19-22(3)11-13/h8-9,11,14H,4-7,10H2,1-3H3,(H,18,24)
InChIKeyWEMHYZLIFDZOKJ-UHFFFAOYSA-N
XLogP1.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyrazole-4-carboxamide
CID 138030030
N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 138031568
N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide
CID 166324317
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide
CID 133403725
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
2-ethyl-4-methyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 100759697
2-ethyl-4-methyl-6-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 100759703
4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106028020
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71879030
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 154868469

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 126837770) is N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide is CCc1nc(C)cc(N2CCCC2CNC(=O)c2cnn(C)c2)n1.
What is the InChIKey of N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is WEMHYZLIFDZOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-4-15-20-12(2)8-16(21-15)23-7-5-6-14(23)10-18-17(24)13-9-19-22(3)11-13/h8-9,11,14H,4-7,10H2,1-3H3,(H,18,24).
What are the key properties of N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126837770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).