N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide

C18H22N4O2 — CID 21083375

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1cccc(-c2cnn(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)c2)c1
InChIInChI=1S/C18H22N4O2/c1-24-17-4-2-3-14(8-17)15-9-19-22(11-15)18(23)20-16-7-13-5-6-21(10-13)12-16/h2-4,8-9,11,13,16H,5-7,10,12H2,1H3,(H,20,23)/t13-,16-/m1/s1
InChIKeyVIOLNXCJCZUWNS-CZUORRHYSA-N
MW326.40 g/mol
LogP2.21
Rot. Bonds3

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide (PubChem CID 21083375) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide
PubChem CID21083375
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1cccc(-c2cnn(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)c2)c1
InChIInChI=1S/C18H22N4O2/c1-24-17-4-2-3-14(8-17)15-9-19-22(11-15)18(23)20-16-7-13-5-6-21(10-13)12-16/h2-4,8-9,11,13,16H,5-7,10,12H2,1H3,(H,20,23)/t13-,16-/m1/s1
InChIKeyVIOLNXCJCZUWNS-CZUORRHYSA-N
XLogP2.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide with MolForge

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(3-methoxyphenyl)thiophene-2-carboxamide
CID 22350651
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CID 21083395
N-(1-azabicyclo[3.2.2]nonan-3-yl)-3-(3-fluorophenyl)pyrrole-1-carboxamide
CID 10245886
N-(1-azabicyclo[3.2.2]nonan-3-yl)-7-methoxynaphthalene-2-carboxamide
CID 22243566
5-(3-aminophenyl)-N-[(3S,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-oxazole-2-carboxamide
CID 10267681
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10154517
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
CID 91779291
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 71992926
N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 171505297
[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635936
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide (CID 21083375) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide is COc1cccc(-c2cnn(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)c2)c1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide?
The InChIKey is VIOLNXCJCZUWNS-CZUORRHYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-17-4-2-3-14(8-17)15-9-19-22(11-15)18(23)20-16-7-13-5-6-21(10-13)12-16/h2-4,8-9,11,13,16H,5-7,10,12H2,1H3,(H,20,23)/t13-,16-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-4-(3-methoxyphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 21083375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).