N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide

C10H17N3O — CID 42352825

IUPACN-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C10H17N3O/c1-7-8(6-13(5)12-7)9(14)11-10(2,3)4/h6H,1-5H3,(H,11,14)
InChIKeyMLVGQKXXERQKOE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.26
Rot. Bonds1

About N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide

N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 42352825) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
PubChem CID42352825
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(C)(C)C
InChIInChI=1S/C10H17N3O/c1-7-8(6-13(5)12-7)9(14)11-10(2,3)4/h6H,1-5H3,(H,11,14)
InChIKeyMLVGQKXXERQKOE-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-1,3-dimethylpyrazole-4-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

3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103790736
4-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 103790571
N-(1-chloro-3-methylpentan-3-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 106168062
N-(1-bromo-3-methylpentan-3-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 106168814
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119568953
N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820667
N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802495
N-(2-tert-butylsulfanylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 74237119
1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one
CID 130634206
CID 91064123
CID 91064123
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide (CID 42352825) is N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is MLVGQKXXERQKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-8(6-13(5)12-7)9(14)11-10(2,3)4/h6H,1-5H3,(H,11,14).
What are the key properties of N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide?
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 42352825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).