3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide

C20H29N3O — CID 7344358

IUPAC3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C20H29N3O/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)21-17(24)16-6-15(14-4-5-14)22-23(16)3/h6,13-14H,4-5,7-12H2,1-3H3,(H,21,24)/t13?,18-,19+,20?
InChIKeyVHRJVZOADCNDFT-GOSFSIBNSA-N
MW327.47 g/mol
LogP3.78
Rot. Bonds3

About 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide

3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide (PubChem CID 7344358) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide
PubChem CID7344358
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C20H29N3O/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)21-17(24)16-6-15(14-4-5-14)22-23(16)3/h6,13-14H,4-5,7-12H2,1-3H3,(H,21,24)/t13?,18-,19+,20?
InChIKeyVHRJVZOADCNDFT-GOSFSIBNSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide (CID 7344358) is 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide is Cn1nc(C2CC2)cc1C(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2.
What is the InChIKey of 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is VHRJVZOADCNDFT-GOSFSIBNSA-N. The full InChI is InChI=1S/C20H29N3O/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)21-17(24)16-6-15(14-4-5-14)22-23(16)3/h6,13-14H,4-5,7-12H2,1-3H3,(H,21,24)/t13?,18-,19+,20?.
What are the key properties of 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide?
3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 7344358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).