N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C14H18N4O — CID 47166966

IUPACN-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(C)C)cnn1-c1ccccn1
InChIInChI=1S/C14H18N4O/c1-10-11(13(19)17-14(2,3)4)9-16-18(10)12-7-5-6-8-15-12/h5-9H,1-4H3,(H,17,19)
InChIKeyVISWJSUXSZDVNN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.10
Rot. Bonds2

About N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 47166966) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID47166966
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)(C)C)cnn1-c1ccccn1
InChIInChI=1S/C14H18N4O/c1-10-11(13(19)17-14(2,3)4)9-16-18(10)12-7-5-6-8-15-12/h5-9H,1-4H3,(H,17,19)
InChIKeyVISWJSUXSZDVNN-UHFFFAOYSA-N
XLogP2.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421
5-methyl-1-pyridin-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78861089
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 47166966) is N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NC(C)(C)C)cnn1-c1ccccn1.
What is the InChIKey of N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is VISWJSUXSZDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-11(13(19)17-14(2,3)4)9-16-18(10)12-7-5-6-8-15-12/h5-9H,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 47166966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).