1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

C19H24N4O2 — CID 51092564

IUPAC1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C19H24N4O2/c1-13-18(14(2)22(3)21-13)19(25)20-12-15-7-6-8-16(11-15)23-10-5-4-9-17(23)24/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,20,25)
InChIKeyYCXFBDLRNOKAPC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.48
Rot. Bonds4

About 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 51092564) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID51092564
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C19H24N4O2/c1-13-18(14(2)22(3)21-13)19(25)20-12-15-7-6-8-16(11-15)23-10-5-4-9-17(23)24/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,20,25)
InChIKeyYCXFBDLRNOKAPC-UHFFFAOYSA-N
XLogP2.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 71886757
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
6-methyl-4-oxo-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 39516500
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 146123063
3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 39516427
5-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 39003298
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
(2R)-2-ethoxy-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 94669760

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 51092564) is 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is YCXFBDLRNOKAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-18(14(2)22(3)21-13)19(25)20-12-15-7-6-8-16(11-15)23-10-5-4-9-17(23)24/h6-8,11H,4-5,9-10,12H2,1-3H3,(H,20,25).
What are the key properties of 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51092564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).