N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide

C18H26ClN3O — CID 19575421

IUPACN-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26ClN3O/c1-11-16(19)9-21-22(11)12(2)17(23)20-10-18-6-13-3-14(7-18)5-15(4-13)8-18/h9,12-15H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyVKVKGXPPWDSTGI-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.74
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide

N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide (PubChem CID 19575421) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
PubChem CID19575421
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC NameN-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26ClN3O/c1-11-16(19)9-21-22(11)12(2)17(23)20-10-18-6-13-3-14(7-18)5-15(4-13)8-18/h9,12-15H,3-8,10H2,1-2H3,(H,20,23)
InChIKeyVKVKGXPPWDSTGI-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.74
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-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide (CID 19575421) is N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide is Cc1c(Cl)cnn1C(C)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The InChIKey is VKVKGXPPWDSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-11-16(19)9-21-22(11)12(2)17(23)20-10-18-6-13-3-14(7-18)5-15(4-13)8-18/h9,12-15H,3-8,10H2,1-2H3,(H,20,23).
What are the key properties of N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide?
N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide has a molecular weight of 335.88 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19575421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).