5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

C16H21N3O2 — CID 71981631

IUPAC5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccccc2CO)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)14-8-13(18-19-14)15(21)17-9-11-6-4-5-7-12(11)10-20/h4-8,20H,9-10H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyFOXXFPURQGRZRN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds4

About 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 71981631) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID71981631
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccccc2CO)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)14-8-13(18-19-14)15(21)17-9-11-6-4-5-7-12(11)10-20/h4-8,20H,9-10H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyFOXXFPURQGRZRN-UHFFFAOYSA-N
XLogP2.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-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

5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 110852012
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 110835219
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 110833128
3-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 110908840
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
2-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136926812
5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 119438538
5-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881499
5-tert-butyl-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 135879017
5-tert-butyl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135909108
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 71981631) is 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is CC(C)(C)c1cc(C(=O)NCc2ccccc2CO)n[nH]1.
What is the InChIKey of 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FOXXFPURQGRZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)14-8-13(18-19-14)15(21)17-9-11-6-4-5-7-12(11)10-20/h4-8,20H,9-10H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71981631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).