N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide

C20H27F2N3O — CID 19520381

IUPACN-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27F2N3O/c21-19(22)16-6-17(15-1-2-15)25(24-16)10-18(26)23-11-20-7-12-3-13(8-20)5-14(4-12)9-20/h6,12-15,19H,1-5,7-11H2,(H,23,26)
InChIKeyFUIGHLIOWRVEHR-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.03
Rot. Bonds6

About N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide

N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19520381) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19520381
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC NameN-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C1CC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27F2N3O/c21-19(22)16-6-17(15-1-2-15)25(24-16)10-18(26)23-11-20-7-12-3-13(8-20)5-14(4-12)9-20/h6,12-15,19H,1-5,7-11H2,(H,23,26)
InChIKeyFUIGHLIOWRVEHR-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (CID 19520381) is N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)F)cc1C1CC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FUIGHLIOWRVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c21-19(22)16-6-17(15-1-2-15)25(24-16)10-18(26)23-11-20-7-12-3-13(8-20)5-14(4-12)9-20/h6,12-15,19H,1-5,7-11H2,(H,23,26).
What are the key properties of N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide?
N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19520381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).