N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide

C18H25N3O — CID 5301077

IUPACN-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H25N3O/c1-21-16(9-15(20-21)12-2-3-12)18(22)19-17-13-5-10-4-11(7-13)8-14(17)6-10/h9-14,17H,2-8H2,1H3,(H,19,22)
InChIKeyKVVCLJPSTWCVHI-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.85
Rot. Bonds3

About N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide

N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide (PubChem CID 5301077) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide
PubChem CID5301077
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H25N3O/c1-21-16(9-15(20-21)12-2-3-12)18(22)19-17-13-5-10-4-11(7-13)8-14(17)6-10/h9-14,17H,2-8H2,1H3,(H,19,22)
InChIKeyKVVCLJPSTWCVHI-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide (CID 5301077) is N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide is Cn1nc(C2CC2)cc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The InChIKey is KVVCLJPSTWCVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-21-16(9-15(20-21)12-2-3-12)18(22)19-17-13-5-10-4-11(7-13)8-14(17)6-10/h9-14,17H,2-8H2,1H3,(H,19,22).
What are the key properties of N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-cyclopropyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 5301077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).