2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide

C25H29N3O2 — CID 42796190

IUPAC2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1ccc(-c2ccccc2)cc1)CC1CCOC1
InChIInChI=1S/C25H29N3O2/c1-3-28-24(15-19(2)26-28)25(29)27(17-21-13-14-30-18-21)16-20-9-11-23(12-10-20)22-7-5-4-6-8-22/h4-12,15,21H,3,13-14,16-18H2,1-2H3
InChIKeyDIDDWHWPPANOTQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.56
Rot. Bonds7

About 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 42796190) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID42796190
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1ccc(-c2ccccc2)cc1)CC1CCOC1
InChIInChI=1S/C25H29N3O2/c1-3-28-24(15-19(2)26-28)25(29)27(17-21-13-14-30-18-21)16-20-9-11-23(12-10-20)22-7-5-4-6-8-22/h4-12,15,21H,3,13-14,16-18H2,1-2H3
InChIKeyDIDDWHWPPANOTQ-UHFFFAOYSA-N
XLogP4.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 42796160
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95283465
2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide
CID 42796283
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51082558
N-ethyl-N-(oxolan-3-ylmethyl)-2-(4-phenylphenoxy)propanamide
CID 55744625
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 95287110
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide (CID 42796190) is 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(Cc1ccc(-c2ccccc2)cc1)CC1CCOC1.
What is the InChIKey of 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is DIDDWHWPPANOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-3-28-24(15-19(2)26-28)25(29)27(17-21-13-14-30-18-21)16-20-9-11-23(12-10-20)22-7-5-4-6-8-22/h4-12,15,21H,3,13-14,16-18H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 42796190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).