N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide

C14H19N5O — CID 119516235

IUPACN-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C14H19N5O/c1-14(2,3)11-7-10(19(4)18-11)13(20)17-9-5-6-12(15)16-8-9/h5-8H,1-4H3,(H2,15,16)(H,17,20)
InChIKeyWHMOPIXGSVFBEF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.95
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide

N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide (PubChem CID 119516235) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
PubChem CID119516235
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C14H19N5O/c1-14(2,3)11-7-10(19(4)18-11)13(20)17-9-5-6-12(15)16-8-9/h5-8H,1-4H3,(H2,15,16)(H,17,20)
InChIKeyWHMOPIXGSVFBEF-UHFFFAOYSA-N
XLogP1.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide (CID 119516235) is N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
The InChIKey is WHMOPIXGSVFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,3)11-7-10(19(4)18-11)13(20)17-9-5-6-12(15)16-8-9/h5-8H,1-4H3,(H2,15,16)(H,17,20).
What are the key properties of N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide?
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 119516235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).