N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide

C20H31N3O — CID 5301064

IUPACN-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)n(C)n1
InChIInChI=1S/C20H31N3O/c1-4-5-17-9-18(23(3)22-17)19(24)21-13(2)20-10-14-6-15(11-20)8-16(7-14)12-20/h9,13-16H,4-8,10-12H2,1-3H3,(H,21,24)
InChIKeyVBBOENWSCHAGCK-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.71
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide

N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 5301064) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID5301064
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)n(C)n1
InChIInChI=1S/C20H31N3O/c1-4-5-17-9-18(23(3)22-17)19(24)21-13(2)20-10-14-6-15(11-20)8-16(7-14)12-20/h9,13-16H,4-8,10-12H2,1-3H3,(H,21,24)
InChIKeyVBBOENWSCHAGCK-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LmCPB-IN-1
CID 145974244
N-(1-adamantylmethyl)-1-cyclohexyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
CID 16046254
N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
N-(1-adamantyl)-5-tert-butyl-1-pentylpyrazole-3-carboxamide
CID 162669733
5-tert-butyl-N-cyclohexyl-1-pentylpyrazole-3-carboxamide
CID 162677250
5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433286
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
N-[(2S)-3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 156014475
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
CID 118433073

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide (CID 5301064) is N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)n(C)n1.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is VBBOENWSCHAGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-4-5-17-9-18(23(3)22-17)19(24)21-13(2)20-10-14-6-15(11-20)8-16(7-14)12-20/h9,13-16H,4-8,10-12H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide?
N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 5301064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).