5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

C16H27N3O2 — CID 162671765

IUPAC5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1C1CC1
InChIInChI=1S/C16H27N3O2/c1-4-5-6-9-19-14(12-7-8-12)10-13(18-19)15(21)17-16(2,3)11-20/h10,12,20H,4-9,11H2,1-3H3,(H,17,21)
InChIKeyOPWUGHBNYWNIAS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.45
Rot. Bonds8

About 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide

5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (PubChem CID 162671765) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
PubChem CID162671765
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NC(C)(C)CO)cc1C1CC1
InChIInChI=1S/C16H27N3O2/c1-4-5-6-9-19-14(12-7-8-12)10-13(18-19)15(21)17-16(2,3)11-20/h10,12,20H,4-9,11H2,1-3H3,(H,17,21)
InChIKeyOPWUGHBNYWNIAS-UHFFFAOYSA-N
XLogP2.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide (CID 162671765) is 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)NC(C)(C)CO)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
The InChIKey is OPWUGHBNYWNIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-5-6-9-19-14(12-7-8-12)10-13(18-19)15(21)17-16(2,3)11-20/h10,12,20H,4-9,11H2,1-3H3,(H,17,21).
What are the key properties of 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide?
5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 162671765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).