N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide

C15H19N3O — CID 110486270

IUPACN-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cccc(C(=O)NC(C)(C)C)c2)cn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)17-14(19)12-7-5-6-11(8-12)13-9-16-18(4)10-13/h5-10H,1-4H3,(H,17,19)
InChIKeyHSSMEFFBCAKFQY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.62
Rot. Bonds2

About N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide

N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide (PubChem CID 110486270) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
PubChem CID110486270
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(-c2cccc(C(=O)NC(C)(C)C)c2)cn1
InChIInChI=1S/C15H19N3O/c1-15(2,3)17-14(19)12-7-5-6-11(8-12)13-9-16-18(4)10-13/h5-10H,1-4H3,(H,17,19)
InChIKeyHSSMEFFBCAKFQY-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 119073913
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 119058818
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
CID 59603987

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide (CID 110486270) is N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide is Cn1cc(-c2cccc(C(=O)NC(C)(C)C)c2)cn1.
What is the InChIKey of N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is HSSMEFFBCAKFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)17-14(19)12-7-5-6-11(8-12)13-9-16-18(4)10-13/h5-10H,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide?
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 110486270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).