1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide

C19H22N4O2 — CID 119035440

IUPAC1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide
SMILESCN(CC1CCOC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1
InChIInChI=1S/C19H22N4O2/c1-22(13-15-8-11-25-14-15)19(24)17-12-21-23(10-5-9-20)18(17)16-6-3-2-4-7-16/h2-4,6-7,12,15H,5,8,10-11,13-14H2,1H3
InChIKeySGUBXOCIIWRZQL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.57
Rot. Bonds6

About 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide

1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide (PubChem CID 119035440) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide
PubChem CID119035440
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide
SMILESCN(CC1CCOC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1
InChIInChI=1S/C19H22N4O2/c1-22(13-15-8-11-25-14-15)19(24)17-12-21-23(10-5-9-20)18(17)16-6-3-2-4-7-16/h2-4,6-7,12,15H,5,8,10-11,13-14H2,1H3
InChIKeySGUBXOCIIWRZQL-UHFFFAOYSA-N
XLogP2.57
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 99818647
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
CID 109384603
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide
CID 96562055
N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 75468358
1-methyl-1-(oxolan-3-ylmethyl)-3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 131901257
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
N-cyclopropyl-1,5-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94026181
2-[[N'-benzyl-N-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 109382961
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide (CID 119035440) is 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide is CN(CC1CCOC1)C(=O)c1cnn(CCC#N)c1-c1ccccc1.
What is the InChIKey of 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide?
The InChIKey is SGUBXOCIIWRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(13-15-8-11-25-14-15)19(24)17-12-21-23(10-5-9-20)18(17)16-6-3-2-4-7-16/h2-4,6-7,12,15H,5,8,10-11,13-14H2,1H3.
What are the key properties of 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide?
1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-N-methyl-N-(oxolan-3-ylmethyl)-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 119035440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).