N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H28N6O2 — CID 124735293

IUPACN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCn1nccc1N1CCC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1=O
InChIInChI=1S/C19H28N6O2/c1-5-25-18(10-11-20-25)24-12-6-7-16(19(24)27)21-17(26)9-8-15-13(2)22-23(4)14(15)3/h10-11,16H,5-9,12H2,1-4H3,(H,21,26)/t16-/m0/s1
InChIKeyNMSDXRIMWHJNCW-INIZCTEOSA-N
MW372.47 g/mol
LogP1.50
Rot. Bonds6

About N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 124735293) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID124735293
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCn1nccc1N1CCC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1=O
InChIInChI=1S/C19H28N6O2/c1-5-25-18(10-11-20-25)24-12-6-7-16(19(24)27)21-17(26)9-8-15-13(2)22-23(4)14(15)3/h10-11,16H,5-9,12H2,1-4H3,(H,21,26)/t16-/m0/s1
InChIKeyNMSDXRIMWHJNCW-INIZCTEOSA-N
XLogP1.50
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794189
N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71688969
N-(2-propylpyrazol-3-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043890
4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632765
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632978
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 91922878
1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361542
N-[(2S)-1-[(3-ethyl-1-methylpyrazol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
CID 71999415
N-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 132413729
N-(1-methyl-1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide
CID 19590872
N-[2-[1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 126461654
(2S)-N-(2-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]butanamide
CID 29092497

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 124735293) is N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCn1nccc1N1CCC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1=O.
What is the InChIKey of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is NMSDXRIMWHJNCW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-5-25-18(10-11-20-25)24-12-6-7-16(19(24)27)21-17(26)9-8-15-13(2)22-23(4)14(15)3/h10-11,16H,5-9,12H2,1-4H3,(H,21,26)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 124735293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).