N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

C19H24N4O2 — CID 71886757

IUPACN-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccc(N3CCCCC3=O)c2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-2-6-15-12-17(22-21-15)19(25)20-13-14-7-5-8-16(11-14)23-10-4-3-9-18(23)24/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,20,25)(H,21,22)
InChIKeyGXSBRJWGHXKVTA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.81
Rot. Bonds6

About N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 71886757) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID71886757
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccc(N3CCCCC3=O)c2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-2-6-15-12-17(22-21-15)19(25)20-13-14-7-5-8-16(11-14)23-10-4-3-9-18(23)24/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,20,25)(H,21,22)
InChIKeyGXSBRJWGHXKVTA-UHFFFAOYSA-N
XLogP2.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131936665
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 48824198
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1,3,5-trimethyl-N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 51092564
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 39516489
N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 32535295
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
5-cyclopropyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 39516950

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 71886757) is N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCc2cccc(N3CCCCC3=O)c2)n[nH]1.
What is the InChIKey of N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is GXSBRJWGHXKVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-6-15-12-17(22-21-15)19(25)20-13-14-7-5-8-16(11-14)23-10-4-3-9-18(23)24/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71886757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).