N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide

C13H15N3O2 — CID 62328004

IUPACN-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H15N3O2/c1-2-7-18-12-5-3-11(4-6-12)16-13(17)10-8-14-15-9-10/h3-6,8-9H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyUGCBHFOLLTYLAZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.45
Rot. Bonds5

About N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide

N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 62328004) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID62328004
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H15N3O2/c1-2-7-18-12-5-3-11(4-6-12)16-13(17)10-8-14-15-9-10/h3-6,8-9H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyUGCBHFOLLTYLAZ-UHFFFAOYSA-N
XLogP2.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 60975452
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442
5-(methylamino)-N-(4-propoxyphenyl)pyrazine-2-carboxamide
CID 107375410
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
CID 103885194
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126

Frequently Asked Questions

What is the IUPAC name of N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide (CID 62328004) is N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide is CCCOc1ccc(NC(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UGCBHFOLLTYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-7-18-12-5-3-11(4-6-12)16-13(17)10-8-14-15-9-10/h3-6,8-9H,2,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide?
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62328004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).