N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide

C15H19N3O2 — CID 61021408

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCc2cn[nH]c2C)cc1
InChIInChI=1S/C15H19N3O2/c1-3-8-20-14-6-4-12(5-7-14)15(19)16-9-13-10-17-18-11(13)2/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGRFUKWKEQMZRFI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.44
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide (PubChem CID 61021408) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
PubChem CID61021408
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCc2cn[nH]c2C)cc1
InChIInChI=1S/C15H19N3O2/c1-3-8-20-14-6-4-12(5-7-14)15(19)16-9-13-10-17-18-11(13)2/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGRFUKWKEQMZRFI-UHFFFAOYSA-N
XLogP2.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62178161
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43734233
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998598
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736054
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61021525
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
N-butyl-4-propoxybenzamide
CID 17142951

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide (CID 61021408) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCc2cn[nH]c2C)cc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide?
The InChIKey is GRFUKWKEQMZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-8-20-14-6-4-12(5-7-14)15(19)16-9-13-10-17-18-11(13)2/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide has a molecular weight of 273.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide is sourced from PubChem (CID 61021408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).