N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C22H29N3O2 — CID 97456837

IUPACN-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)N(CC3CCC3)C[C@H]3CCCO3)c2)n1
InChIInChI=1S/C22H29N3O2/c1-16-12-17(2)25(23-16)20-9-4-8-19(13-20)22(26)24(14-18-6-3-7-18)15-21-10-5-11-27-21/h4,8-9,12-13,18,21H,3,5-7,10-11,14-15H2,1-2H3/t21-/m1/s1
InChIKeyCLKYDLDBESVBDZ-OAQYLSRUSA-N
MW367.49 g/mol
LogP3.91
Rot. Bonds6

About N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 97456837) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID97456837
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)N(CC3CCC3)C[C@H]3CCCO3)c2)n1
InChIInChI=1S/C22H29N3O2/c1-16-12-17(2)25(23-16)20-9-4-8-19(13-20)22(26)24(14-18-6-3-7-18)15-21-10-5-11-27-21/h4,8-9,12-13,18,21H,3,5-7,10-11,14-15H2,1-2H3/t21-/m1/s1
InChIKeyCLKYDLDBESVBDZ-OAQYLSRUSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 72926752
N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 118792637
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
N-(cyclobutylmethyl)-4-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137334645
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74234326
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95597649
N-(cyclopropylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-propylbenzamide
CID 78785879
N-[[4-benzyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 45197956

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 97456837) is N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Cc1cc(C)n(-c2cccc(C(=O)N(CC3CCC3)C[C@H]3CCCO3)c2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is CLKYDLDBESVBDZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-12-17(2)25(23-16)20-9-4-8-19(13-20)22(26)24(14-18-6-3-7-18)15-21-10-5-11-27-21/h4,8-9,12-13,18,21H,3,5-7,10-11,14-15H2,1-2H3/t21-/m1/s1.
What are the key properties of N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 97456837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).