N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide

C21H19N5O — CID 51926493

IUPACN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C21H19N5O/c1-25-15-13-22-20(25)19(16-6-3-2-4-7-16)24-21(27)17-8-10-18(11-9-17)26-14-5-12-23-26/h2-15,19H,1H3,(H,24,27)/t19-/m1/s1
InChIKeyNSTSPYIWGPIRAC-LJQANCHMSA-N
MW357.42 g/mol
LogP3.13
Rot. Bonds5

About N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 51926493) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
PubChem CID51926493
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
SMILESCn1ccnc1[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C21H19N5O/c1-25-15-13-22-20(25)19(16-6-3-2-4-7-16)24-21(27)17-8-10-18(11-9-17)26-14-5-12-23-26/h2-15,19H,1H3,(H,24,27)/t19-/m1/s1
InChIKeyNSTSPYIWGPIRAC-LJQANCHMSA-N
XLogP3.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 25325592
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide
CID 56545477
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46696472

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide (CID 51926493) is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide is Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1.
What is the InChIKey of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is NSTSPYIWGPIRAC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19N5O/c1-25-15-13-22-20(25)19(16-6-3-2-4-7-16)24-21(27)17-8-10-18(11-9-17)26-14-5-12-23-26/h2-15,19H,1H3,(H,24,27)/t19-/m1/s1.
What are the key properties of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide?
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 357.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 51926493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).