N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide

C19H25N3O2 — CID 91914969

IUPACN-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)CC2(C)CCOCC2)n[nH]1
InChIInChI=1S/C19H25N3O2/c1-15-12-17(21-20-15)18(23)22(13-16-6-4-3-5-7-16)14-19(2)8-10-24-11-9-19/h3-7,12H,8-11,13-14H2,1-2H3,(H,20,21)
InChIKeyYUSCGBQAQNZMRT-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.18
Rot. Bonds5

About N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide

N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 91914969) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID91914969
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)CC2(C)CCOCC2)n[nH]1
InChIInChI=1S/C19H25N3O2/c1-15-12-17(21-20-15)18(23)22(13-16-6-4-3-5-7-16)14-19(2)8-10-24-11-9-19/h3-7,12H,8-11,13-14H2,1-2H3,(H,20,21)
InChIKeyYUSCGBQAQNZMRT-UHFFFAOYSA-N
XLogP3.18
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 91914969) is N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccccc2)CC2(C)CCOCC2)n[nH]1.
What is the InChIKey of N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YUSCGBQAQNZMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-12-17(21-20-15)18(23)22(13-16-6-4-3-5-7-16)14-19(2)8-10-24-11-9-19/h3-7,12H,8-11,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide?
N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-N-[(4-methyloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91914969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).