2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide

C22H30N4O — CID 119797189

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide
SMILESCc1ccc(-n2nc(C(C)C)cc2NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C22H30N4O/c1-14(2)20-13-21(26(25-20)19-8-4-15(3)5-9-19)24-22(27)12-16-10-17-6-7-18(11-16)23-17/h4-5,8-9,13-14,16-18,23H,6-7,10-12H2,1-3H3,(H,24,27)
InChIKeyPLSGRNQUIQEWBB-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.16
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide (PubChem CID 119797189) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide
PubChem CID119797189
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide
SMILESCc1ccc(-n2nc(C(C)C)cc2NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C22H30N4O/c1-14(2)20-13-21(26(25-20)19-8-4-15(3)5-9-19)24-22(27)12-16-10-17-6-7-18(11-16)23-17/h4-5,8-9,13-14,16-18,23H,6-7,10-12H2,1-3H3,(H,24,27)
InChIKeyPLSGRNQUIQEWBB-UHFFFAOYSA-N
XLogP4.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
CID 119680128
3-amino-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]cyclopentane-1-carboxamide
CID 119797181
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119684833
4-(methylamino)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]butanamide;hydrochloride
CID 119797176
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 79609586
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
CID 119704778
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119797179
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119676911
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide (CID 119797189) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide is Cc1ccc(-n2nc(C(C)C)cc2NC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide?
The InChIKey is PLSGRNQUIQEWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-14(2)20-13-21(26(25-20)19-8-4-15(3)5-9-19)24-22(27)12-16-10-17-6-7-18(11-16)23-17/h4-5,8-9,13-14,16-18,23H,6-7,10-12H2,1-3H3,(H,24,27).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 119797189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).