N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide

C25H29N3O — CID 125177614

IUPACN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
SMILESCc1nn(C)cc1-c1cccc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1
InChIInChI=1S/C25H29N3O/c1-18-22(15-28(5)26-18)19-10-9-11-20(14-19)23(29)27(4)17-25(16-24(25,2)3)21-12-7-6-8-13-21/h6-15H,16-17H2,1-5H3/t25-/m1/s1
InChIKeySEBYOYBLOGOFLT-RUZDIDTESA-N
MW387.53 g/mol
LogP4.84
Rot. Bonds5

About N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide

N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide (PubChem CID 125177614) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
PubChem CID125177614
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
SMILESCc1nn(C)cc1-c1cccc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1
InChIInChI=1S/C25H29N3O/c1-18-22(15-28(5)26-18)19-10-9-11-20(14-19)23(29)27(4)17-25(16-24(25,2)3)21-12-7-6-8-13-21/h6-15H,16-17H2,1-5H3/t25-/m1/s1
InChIKeySEBYOYBLOGOFLT-RUZDIDTESA-N
XLogP4.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide?
The IUPAC name of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide (CID 125177614) is N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide.
What is the SMILES notation for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide?
The canonical SMILES for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide is Cc1nn(C)cc1-c1cccc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1.
What is the InChIKey of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide?
The InChIKey is SEBYOYBLOGOFLT-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-22(15-28(5)26-18)19-10-9-11-20(14-19)23(29)27(4)17-25(16-24(25,2)3)21-12-7-6-8-13-21/h6-15H,16-17H2,1-5H3/t25-/m1/s1.
What are the key properties of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide?
N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide has a molecular weight of 387.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide is sourced from PubChem (CID 125177614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).