N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

C18H28N4O — CID 119455407

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NC2CC3CCC(C2)N3)cc1C1CC1
InChIInChI=1S/C18H28N4O/c1-18(2,3)22-16(11-4-5-11)10-15(21-22)17(23)20-14-8-12-6-7-13(9-14)19-12/h10-14,19H,4-9H2,1-3H3,(H,20,23)
InChIKeyQJDFRKMQMVADEI-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.53
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide (PubChem CID 119455407) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
PubChem CID119455407
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NC2CC3CCC(C2)N3)cc1C1CC1
InChIInChI=1S/C18H28N4O/c1-18(2,3)22-16(11-4-5-11)10-15(21-22)17(23)20-14-8-12-6-7-13(9-14)19-12/h10-14,19H,4-9H2,1-3H3,(H,20,23)
InChIKeyQJDFRKMQMVADEI-UHFFFAOYSA-N
XLogP2.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 94517659
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
CID 120577098
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119459503
methyl 6-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]hexanoate
CID 51085909
2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119214078
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087
1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide
CID 111460279
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide (CID 119455407) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)NC2CC3CCC(C2)N3)cc1C1CC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The InChIKey is QJDFRKMQMVADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-18(2,3)22-16(11-4-5-11)10-15(21-22)17(23)20-14-8-12-6-7-13(9-14)19-12/h10-14,19H,4-9H2,1-3H3,(H,20,23).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide is sourced from PubChem (CID 119455407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).