5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide

C16H27N3O2 — CID 162676655

IUPAC5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CC2CC2)n1
InChIInChI=1S/C16H27N3O2/c1-15(2,3)13-8-12(14(21)17-16(4,5)10-20)18-19(13)9-11-6-7-11/h8,11,20H,6-7,9-10H2,1-5H3,(H,17,21)
InChIKeyDCJOGKZTODMTKX-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.09
Rot. Bonds5

About 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide

5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 162676655) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID162676655
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CC2CC2)n1
InChIInChI=1S/C16H27N3O2/c1-15(2,3)13-8-12(14(21)17-16(4,5)10-20)18-19(13)9-11-6-7-11/h8,11,20H,6-7,9-10H2,1-5H3,(H,17,21)
InChIKeyDCJOGKZTODMTKX-UHFFFAOYSA-N
XLogP2.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (CID 162676655) is 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(CC2CC2)n1.
What is the InChIKey of 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is DCJOGKZTODMTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15(2,3)13-8-12(14(21)17-16(4,5)10-20)18-19(13)9-11-6-7-11/h8,11,20H,6-7,9-10H2,1-5H3,(H,17,21).
What are the key properties of 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 162676655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).