N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide

C18H26ClN3O — CID 40761680

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESC[C@@H](NC(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26ClN3O/c1-12(21-17(23)2-3-22-11-16(19)10-20-22)18-7-13-4-14(8-18)6-15(5-13)9-18/h10-15H,2-9H2,1H3,(H,21,23)/t12-,13?,14?,15?,18?/m1/s1
InChIKeyFKMQJUAWHPKMFN-QLFDAEIZSA-N
MW335.88 g/mol
LogP3.65
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide

N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide (PubChem CID 40761680) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide
PubChem CID40761680
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide
SMILESC[C@@H](NC(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26ClN3O/c1-12(21-17(23)2-3-22-11-16(19)10-20-22)18-7-13-4-14(8-18)6-15(5-13)9-18/h10-15H,2-9H2,1H3,(H,21,23)/t12-,13?,14?,15?,18?/m1/s1
InChIKeyFKMQJUAWHPKMFN-QLFDAEIZSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 98224351
(2R)-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 119369224
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
2-(1-adamantyl)-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19330217
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641
N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4810854
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide (CID 40761680) is N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide is C[C@@H](NC(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide?
The InChIKey is FKMQJUAWHPKMFN-QLFDAEIZSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-12(21-17(23)2-3-22-11-16(19)10-20-22)18-7-13-4-14(8-18)6-15(5-13)9-18/h10-15H,2-9H2,1H3,(H,21,23)/t12-,13?,14?,15?,18?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide?
N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide has a molecular weight of 335.88 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide is sourced from PubChem (CID 40761680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).