N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide

C17H25N3O2 — CID 131919356

IUPACN-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)n[nH]1
InChIInChI=1S/C17H25N3O2/c1-2-3-13-5-14(20-19-13)15(21)18-16-6-11-4-12(7-16)9-17(22,8-11)10-16/h5,11-12,22H,2-4,6-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyFARPWPNWKPHQSF-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.18
Rot. Bonds4

About N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide

N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 131919356) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID131919356
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)n[nH]1
InChIInChI=1S/C17H25N3O2/c1-2-3-13-5-14(20-19-13)15(21)18-16-6-11-4-12(7-16)9-17(22,8-11)10-16/h5,11-12,22H,2-4,6-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyFARPWPNWKPHQSF-UHFFFAOYSA-N
XLogP2.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 131919356) is N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)n[nH]1.
What is the InChIKey of N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is FARPWPNWKPHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-3-13-5-14(20-19-13)15(21)18-16-6-11-4-12(7-16)9-17(22,8-11)10-16/h5,11-12,22H,2-4,6-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide?
N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-adamantyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 131919356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).