N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide

C19H25N3O2 — CID 42796160

IUPACN-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1ccccc1)CC1CCOC1
InChIInChI=1S/C19H25N3O2/c1-3-22-18(11-15(2)20-22)19(23)21(13-17-9-10-24-14-17)12-16-7-5-4-6-8-16/h4-8,11,17H,3,9-10,12-14H2,1-2H3
InChIKeyYSUKJZHWSZNSRF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.89
Rot. Bonds6

About N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide

N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 42796160) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID42796160
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1ccccc1)CC1CCOC1
InChIInChI=1S/C19H25N3O2/c1-3-22-18(11-15(2)20-22)19(23)21(13-17-9-10-24-14-17)12-16-7-5-4-6-8-16/h4-8,11,17H,3,9-10,12-14H2,1-2H3
InChIKeyYSUKJZHWSZNSRF-UHFFFAOYSA-N
XLogP2.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
CID 42796190
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95283465
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972
N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51082558
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide
CID 42796283
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 95276771
2,5-dimethyl-N-[[3-[(3R)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 42382288
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide (CID 42796160) is N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(Cc1ccccc1)CC1CCOC1.
What is the InChIKey of N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is YSUKJZHWSZNSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-22-18(11-15(2)20-22)19(23)21(13-17-9-10-24-14-17)12-16-7-5-4-6-8-16/h4-8,11,17H,3,9-10,12-14H2,1-2H3.
What are the key properties of N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42796160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).