N-tert-butyl-1H-pyrazole-5-carboxamide

C8H13N3O — CID 23279698

IUPACN-tert-butyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C8H13N3O/c1-8(2,3)10-7(12)6-4-5-9-11-6/h4-5H,1-3H3,(H,9,11)(H,10,12)
InChIKeyCUGLONFNGQBMPL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.94
Rot. Bonds1

About N-tert-butyl-1H-pyrazole-5-carboxamide

N-tert-butyl-1H-pyrazole-5-carboxamide (PubChem CID 23279698) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-tert-butyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1H-pyrazole-5-carboxamide
PubChem CID23279698
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-tert-butyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C8H13N3O/c1-8(2,3)10-7(12)6-4-5-9-11-6/h4-5H,1-3H3,(H,9,11)(H,10,12)
InChIKeyCUGLONFNGQBMPL-UHFFFAOYSA-N
XLogP0.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-tert-butyl-1H-pyrazole-5-carboxamide (CID 23279698) is N-tert-butyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-1H-pyrazole-5-carboxamide is CC(C)(C)NC(=O)c1ccn[nH]1.
What is the InChIKey of N-tert-butyl-1H-pyrazole-5-carboxamide?
The InChIKey is CUGLONFNGQBMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)10-7(12)6-4-5-9-11-6/h4-5H,1-3H3,(H,9,11)(H,10,12).
What are the key properties of N-tert-butyl-1H-pyrazole-5-carboxamide?
N-tert-butyl-1H-pyrazole-5-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 23279698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).