3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide

C15H19N3O2 — CID 107231636

IUPAC3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C15H19N3O2/c1-3-14-13(9-18(2)17-14)15(20)16-8-11-4-6-12(10-19)7-5-11/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,20)
InChIKeyTWSYIWIDHQCQLQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.40
Rot. Bonds5

About 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide

3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 107231636) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID107231636
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C15H19N3O2/c1-3-14-13(9-18(2)17-14)15(20)16-8-11-4-6-12(10-19)7-5-11/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,20)
InChIKeyTWSYIWIDHQCQLQ-UHFFFAOYSA-N
XLogP1.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810942
N-[[3-(bromomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811324
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
3-ethyl-N-(1H-imidazol-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 113347486
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810780
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894223

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide (CID 107231636) is 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is TWSYIWIDHQCQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-14-13(9-18(2)17-14)15(20)16-8-11-4-6-12(10-19)7-5-11/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,20).
What are the key properties of 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 107231636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).