N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

C17H23N3O2 — CID 55969246

IUPACN-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCOc1cccc(CNC(=O)c2cc(CCC)[nH]n2)c1
InChIInChI=1S/C17H23N3O2/c1-3-6-14-11-16(20-19-14)17(21)18-12-13-7-5-8-15(10-13)22-9-4-2/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySJSIPMMHYCONPG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.08
Rot. Bonds8

About N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55969246) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55969246
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCOc1cccc(CNC(=O)c2cc(CCC)[nH]n2)c1
InChIInChI=1S/C17H23N3O2/c1-3-6-14-11-16(20-19-14)17(21)18-12-13-7-5-8-15(10-13)22-9-4-2/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySJSIPMMHYCONPG-UHFFFAOYSA-N
XLogP3.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 32535295
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 71886757
N-[(3-butoxyphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60517201
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70751626
5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42197018
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51090455
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86840228
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211

Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 55969246) is N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCOc1cccc(CNC(=O)c2cc(CCC)[nH]n2)c1.
What is the InChIKey of N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is SJSIPMMHYCONPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-6-14-11-16(20-19-14)17(21)18-12-13-7-5-8-15(10-13)22-9-4-2/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55969246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).