1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide

C17H23N5O2 — CID 75375888

IUPAC1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(=O)N(C)Cc2ccncc2)n(C)n1
InChIInChI=1S/C17H23N5O2/c1-12(2)14-9-15(22(4)20-14)17(24)19-10-16(23)21(3)11-13-5-7-18-8-6-13/h5-9,12H,10-11H2,1-4H3,(H,19,24)
InChIKeyFIOLERCHDDPFBE-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.33
Rot. Bonds6

About 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide

1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 75375888) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID75375888
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC(=O)N(C)Cc2ccncc2)n(C)n1
InChIInChI=1S/C17H23N5O2/c1-12(2)14-9-15(22(4)20-14)17(24)19-10-16(23)21(3)11-13-5-7-18-8-6-13/h5-9,12H,10-11H2,1-4H3,(H,19,24)
InChIKeyFIOLERCHDDPFBE-UHFFFAOYSA-N
XLogP1.33
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
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CID 47028268
1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide
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1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
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N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560633
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
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3-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)butanamide
CID 55122842
1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
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N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565388
N-[2-[2-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 167956739
N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 75375888) is 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCC(=O)N(C)Cc2ccncc2)n(C)n1.
What is the InChIKey of 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is FIOLERCHDDPFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)14-9-15(22(4)20-14)17(24)19-10-16(23)21(3)11-13-5-7-18-8-6-13/h5-9,12H,10-11H2,1-4H3,(H,19,24).
What are the key properties of 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 75375888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).