1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide

C17H27N5O — CID 47055350

IUPAC1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1
InChIInChI=1S/C17H27N5O/c1-12(2)15-10-14(20-22(15)17(4,5)6)16(23)19-13(3)11-21-9-7-8-18-21/h7-10,12-13H,11H2,1-6H3,(H,19,23)
InChIKeyHMLMLRZNSHWFNJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.78
Rot. Bonds5

About 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide

1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 47055350) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID47055350
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1
InChIInChI=1S/C17H27N5O/c1-12(2)15-10-14(20-22(15)17(4,5)6)16(23)19-13(3)11-21-9-7-8-18-21/h7-10,12-13H,11H2,1-6H3,(H,19,23)
InChIKeyHMLMLRZNSHWFNJ-UHFFFAOYSA-N
XLogP2.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrazol-1-ylethyl 1-tert-butyl-5-propan-2-ylpyrazole-3-carboxylate
CID 86862433
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
1-tert-butyl-N-[(2-fluorophenyl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 46486795
1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 87012220
2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821496
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617127

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide (CID 47055350) is 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide is CC(Cn1cccn1)NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is HMLMLRZNSHWFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12(2)15-10-14(20-22(15)17(4,5)6)16(23)19-13(3)11-21-9-7-8-18-21/h7-10,12-13H,11H2,1-6H3,(H,19,23).
What are the key properties of 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide?
1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 47055350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).