1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide

C19H24N4O3 — CID 75767297

IUPAC1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCCO2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C19H24N4O3/c1-23-17(21-18(24)10-9-14-6-3-2-4-7-14)12-16(22-23)19(25)20-13-15-8-5-11-26-15/h2-4,6-7,12,15H,5,8-11,13H2,1H3,(H,20,25)(H,21,24)
InChIKeyMIDLCPWSTYTOFU-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.90
Rot. Bonds7

About 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide

1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide (PubChem CID 75767297) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide
PubChem CID75767297
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCCO2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C19H24N4O3/c1-23-17(21-18(24)10-9-14-6-3-2-4-7-14)12-16(22-23)19(25)20-13-15-8-5-11-26-15/h2-4,6-7,12,15H,5,8-11,13H2,1H3,(H,20,25)(H,21,24)
InChIKeyMIDLCPWSTYTOFU-UHFFFAOYSA-N
XLogP1.90
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenylpropanoylcarbamothioylamino)benzamide
CID 7484812
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109343930
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-[3-(4-aminophenyl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54795337

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide (CID 75767297) is 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide is Cn1nc(C(=O)NCC2CCCO2)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide?
The InChIKey is MIDLCPWSTYTOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23-17(21-18(24)10-9-14-6-3-2-4-7-14)12-16(22-23)19(25)20-13-15-8-5-11-26-15/h2-4,6-7,12,15H,5,8-11,13H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide?
1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-2-ylmethyl)-5-(3-phenylpropanoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 75767297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).