1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide

C16H21N3O2 — CID 51090455

IUPAC1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCCCOc1cccc(CNC(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C16H21N3O2/c1-4-8-21-14-7-5-6-13(9-14)10-17-16(20)15-11-18-19(3)12(15)2/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,20)
InChIKeyDSGAHPJQLPTAOC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds6

About 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 51090455) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID51090455
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCCCOc1cccc(CNC(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C16H21N3O2/c1-4-8-21-14-7-5-6-13(9-14)10-17-16(20)15-11-18-19(3)12(15)2/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,20)
InChIKeyDSGAHPJQLPTAOC-UHFFFAOYSA-N
XLogP2.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
CID 94817888
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
N-[(3-butoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86996111
1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 34595492
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 60573967
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 122107947
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide (CID 51090455) is 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide is CCCOc1cccc(CNC(=O)c2cnn(C)c2C)c1.
What is the InChIKey of 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is DSGAHPJQLPTAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-8-21-14-7-5-6-13(9-14)10-17-16(20)15-11-18-19(3)12(15)2/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,20).
What are the key properties of 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51090455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).